2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide

C22H20N6O — CID 71061140

IUPAC2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3cnn(Cc4ccccc4)c3)cnc2N)ccn1
InChIInChI=1S/C22H20N6O/c1-15-9-19(7-8-24-15)27-22(29)20-10-17(11-25-21(20)23)18-12-26-28(14-18)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H2,23,25)(H,24,27,29)
InChIKeyCLVOFVSKXGTJMX-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.53
Rot. Bonds5

About 2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide

2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide (PubChem CID 71061140) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
PubChem CID71061140
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3cnn(Cc4ccccc4)c3)cnc2N)ccn1
InChIInChI=1S/C22H20N6O/c1-15-9-19(7-8-24-15)27-22(29)20-10-17(11-25-21(20)23)18-12-26-28(14-18)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H2,23,25)(H,24,27,29)
InChIKeyCLVOFVSKXGTJMX-UHFFFAOYSA-N
XLogP3.53
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(1-benzylpyrrolidin-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326299
2-amino-N-(2-methyl-4-pyridinyl)benzamide
CID 79235729
5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44555691
2-amino-N-methyl-5-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 144889183
N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 35761599
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide
CID 155251940
ethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate
CID 71061208
benzyl (2S)-2-[[2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]propanoate
CID 126671430
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582
N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide
CID 110702383
5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide
CID 139349112
2-amino-N-(2-methyl-1-phenylmethoxypropan-2-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644590

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide (CID 71061140) is 2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide is Cc1cc(NC(=O)c2cc(-c3cnn(Cc4ccccc4)c3)cnc2N)ccn1.
What is the InChIKey of 2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide?
The InChIKey is CLVOFVSKXGTJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-15-9-19(7-8-24-15)27-22(29)20-10-17(11-25-21(20)23)18-12-26-28(14-18)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H2,23,25)(H,24,27,29).
What are the key properties of 2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide?
2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 71061140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).