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

C24H25N7O2 — CID 122487523

IUPACN-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cn2)cc1
InChIInChI=1S/C24H25N7O2/c1-4-33-19-8-5-17(6-9-19)13-26-24(32)20-10-7-18(14-25-20)23-27-15(2)11-21(29-23)28-22-12-16(3)30-31-22/h5-12,14H,4,13H2,1-3H3,(H,26,32)(H2,27,28,29,30,31)
InChIKeyOQCQBGRMYZDPMH-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.95
Rot. Bonds8

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

N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 122487523) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
PubChem CID122487523
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC NameN-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cn2)cc1
InChIInChI=1S/C24H25N7O2/c1-4-33-19-8-5-17(6-9-19)13-26-24(32)20-10-7-18(14-25-20)23-27-15(2)11-21(29-23)28-22-12-16(3)30-31-22/h5-12,14H,4,13H2,1-3H3,(H,26,32)(H2,27,28,29,30,31)
InChIKeyOQCQBGRMYZDPMH-UHFFFAOYSA-N
XLogP3.95
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 122487523) is N-[(4-ethoxyphenyl)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-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is CCOc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cn2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
The InChIKey is OQCQBGRMYZDPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-4-33-19-8-5-17(6-9-19)13-26-24(32)20-10-7-18(14-25-20)23-27-15(2)11-21(29-23)28-22-12-16(3)30-31-22/h5-12,14H,4,13H2,1-3H3,(H,26,32)(H2,27,28,29,30,31).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?
N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.95, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 122487523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).