4-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-5-methyl-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide

C25H29N7O2 — CID 159697043

IUPAC4-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-5-methyl-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESC/N=C/C(=CN)c1ccc(Cc2cc(C(=O)NC3CCOCC3)nc(-n3cccn3)c2C)cn1
InChIInChI=1S/C25H29N7O2/c1-17-19(12-18-4-5-22(28-15-18)20(14-26)16-27-2)13-23(31-24(17)32-9-3-8-29-32)25(33)30-21-6-10-34-11-7-21/h3-5,8-9,13-16,21H,6-7,10-12,26H2,1-2H3,(H,30,33)/b20-14?,27-16+
InChIKeyGPWGJEWXQTYRCY-UXIPPLRPSA-N
MW459.55 g/mol
LogP2.47
Rot. Bonds7

About 4-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-5-methyl-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide

4-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-5-methyl-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 159697043) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 4-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-5-methyl-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-5-methyl-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID159697043
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name4-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-5-methyl-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESC/N=C/C(=CN)c1ccc(Cc2cc(C(=O)NC3CCOCC3)nc(-n3cccn3)c2C)cn1
InChIInChI=1S/C25H29N7O2/c1-17-19(12-18-4-5-22(28-15-18)20(14-26)16-27-2)13-23(31-24(17)32-9-3-8-29-32)25(33)30-21-6-10-34-11-7-21/h3-5,8-9,13-16,21H,6-7,10-12,26H2,1-2H3,(H,30,33)/b20-14?,27-16+
InChIKeyGPWGJEWXQTYRCY-UXIPPLRPSA-N
XLogP2.47
TPSA120.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-5-methyl-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide with MolForge

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Related Compounds

N-[(3S,4S)-4-hydroxyoxan-3-yl]-5,6-dimethyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129017457
2-fluoro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-3,4-dimethyl-5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
CID 137404581
N-[3-(hydroxymethyl)cyclobutyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663267
5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide
CID 172505548
5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 129017479
6-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]-1,2-dihydrobenzo[h]quinazolin-4-one
CID 163656750
N-[(3R,4S)-3-hydroxyoxan-4-yl]-1-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 150962121
N-(3,3-difluorocyclopentyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663229
7-[(3-fluoro-4-methylphenyl)methyl]-N-(oxan-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-5-carboxamide
CID 146549623
2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide
CID 119060260
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethyl-5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
CID 137404589
N-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663243

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-5-methyl-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of 4-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-5-methyl-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide (CID 159697043) is 4-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-5-methyl-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-5-methyl-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for 4-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-5-methyl-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide is C/N=C/C(=CN)c1ccc(Cc2cc(C(=O)NC3CCOCC3)nc(-n3cccn3)c2C)cn1.
What is the InChIKey of 4-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-5-methyl-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is GPWGJEWXQTYRCY-UXIPPLRPSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-17-19(12-18-4-5-22(28-15-18)20(14-26)16-27-2)13-23(31-24(17)32-9-3-8-29-32)25(33)30-21-6-10-34-11-7-21/h3-5,8-9,13-16,21H,6-7,10-12,26H2,1-2H3,(H,30,33)/b20-14?,27-16+.
What are the key properties of 4-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-5-methyl-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide?
4-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-5-methyl-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1-amino-3-methyliminoprop-1-en-2-yl)-3-pyridinyl]methyl]-5-methyl-N-(oxan-4-yl)-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 159697043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).