N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-(furan-3-ylmethyl)formamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine

C43H44N14O3 — CID 142326689

IUPACN-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-(furan-3-ylmethyl)formamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccccc3)nc2)n1.Cc1ccc(-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cn1.O=CNCc1ccoc1
InChIInChI=1S/C22H21N7O.C15H16N6.C6H7NO2/c1-14-10-19(26-20-11-15(2)28-29-20)27-21(25-14)17-8-9-18(23-13-17)22(30)24-12-16-6-4-3-5-7-16;1-9-4-5-12(8-16-9)15-17-10(2)6-13(19-15)18-14-7-11(3)20-21-14;8-5-7-3-6-1-2-9-4-6/h3-11,13H,12H2,1-2H3,(H,24,30)(H2,25,26,27,28,29);4-8H,1-3H3,(H2,17,18,19,20,21);1-2,4-5H,3H2,(H,7,8)
InChIKeyHMOIXAQNIIYCNE-UHFFFAOYSA-N
MW804.92 g/mol
LogP7.01
Rot. Bonds12

About N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-(furan-3-ylmethyl)formamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine

N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-(furan-3-ylmethyl)formamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine (PubChem CID 142326689) has the molecular formula C43H44N14O3 and a molecular weight of 804.92 g/mol. Its IUPAC name is N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-(furan-3-ylmethyl)formamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-(furan-3-ylmethyl)formamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
PubChem CID142326689
Molecular FormulaC43H44N14O3
Molecular Weight804.92 g/mol
Exact Mass804.37
IUPAC NameN-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-(furan-3-ylmethyl)formamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccccc3)nc2)n1.Cc1ccc(-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cn1.O=CNCc1ccoc1
InChIInChI=1S/C22H21N7O.C15H16N6.C6H7NO2/c1-14-10-19(26-20-11-15(2)28-29-20)27-21(25-14)17-8-9-18(23-13-17)22(30)24-12-16-6-4-3-5-7-16;1-9-4-5-12(8-16-9)15-17-10(2)6-13(19-15)18-14-7-11(3)20-21-14;8-5-7-3-6-1-2-9-4-6/h3-11,13H,12H2,1-2H3,(H,24,30)(H2,25,26,27,28,29);4-8H,1-3H3,(H2,17,18,19,20,21);1-2,4-5H,3H2,(H,7,8)
InChIKeyHMOIXAQNIIYCNE-UHFFFAOYSA-N
XLogP7.01
TPSA230.10 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500804.92
LogP ≤ 57.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-(furan-3-ylmethyl)formamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine with MolForge

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Related Compounds

4-(furo[2,3-d]pyrimidin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
CID 72194909
N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136506881
US11472811, Example 111B
CID 146174226
US11472811, Example 109B
CID 150274120
US11472811, Example 109
CID 150274121
US11472811, Example 111
CID 151824025
N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
CID 122487514
5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide
CID 122487515
N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
CID 122487522
N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
CID 122487523
N-[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136213910
N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 136213911

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-(furan-3-ylmethyl)formamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-(furan-3-ylmethyl)formamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine (CID 142326689) is N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-(furan-3-ylmethyl)formamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-(furan-3-ylmethyl)formamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-(furan-3-ylmethyl)formamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine is Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccccc3)nc2)n1.Cc1ccc(-c2nc(C)cc(Nc3cc(C)[nH]n3)n2)cn1.O=CNCc1ccoc1.
What is the InChIKey of N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-(furan-3-ylmethyl)formamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is HMOIXAQNIIYCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O.C15H16N6.C6H7NO2/c1-14-10-19(26-20-11-15(2)28-29-20)27-21(25-14)17-8-9-18(23-13-17)22(30)24-12-16-6-4-3-5-7-16;1-9-4-5-12(8-16-9)15-17-10(2)6-13(19-15)18-14-7-11(3)20-21-14;8-5-7-3-6-1-2-9-4-6/h3-11,13H,12H2,1-2H3,(H,24,30)(H2,25,26,27,28,29);4-8H,1-3H3,(H2,17,18,19,20,21);1-2,4-5H,3H2,(H,7,8).
What are the key properties of N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-(furan-3-ylmethyl)formamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-(furan-3-ylmethyl)formamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 804.92 g/mol, XLogP of 7.01, 12 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-(furan-3-ylmethyl)formamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 142326689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).