N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

C23H23N7O2 — CID 122487522

IUPACN-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cn2)cc1
InChIInChI=1S/C23H23N7O2/c1-14-10-20(27-21-11-15(2)29-30-21)28-22(26-14)17-6-9-19(24-13-17)23(31)25-12-16-4-7-18(32-3)8-5-16/h4-11,13H,12H2,1-3H3,(H,25,31)(H2,26,27,28,29,30)
InChIKeyJTKOVVDIFFNADN-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.56
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 122487522) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
PubChem CID122487522
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cn2)cc1
InChIInChI=1S/C23H23N7O2/c1-14-10-20(27-21-11-15(2)29-30-21)28-22(26-14)17-6-9-19(24-13-17)23(31)25-12-16-4-7-18(32-3)8-5-16/h4-11,13H,12H2,1-3H3,(H,25,31)(H2,26,27,28,29,30)
InChIKeyJTKOVVDIFFNADN-UHFFFAOYSA-N
XLogP3.56
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 122487522) is N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cn2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The InChIKey is JTKOVVDIFFNADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-14-10-20(27-21-11-15(2)29-30-21)28-22(26-14)17-6-9-19(24-13-17)23(31)25-12-16-4-7-18(32-3)8-5-16/h4-11,13H,12H2,1-3H3,(H,25,31)(H2,26,27,28,29,30).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 122487522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).