N-(4-cyclohexa-1,3-dien-1-yl-3-pyridinyl)-2-[[cyclopropyl(hydroxy)methyl]amino]pyridine-4-carboxamide

C21H22N4O2 — CID 144842705

IUPACN-(4-cyclohexa-1,3-dien-1-yl-3-pyridinyl)-2-[[cyclopropyl(hydroxy)methyl]amino]pyridine-4-carboxamide
SMILESO=C(Nc1cnccc1C1=CC=CCC1)c1ccnc(NC(O)C2CC2)c1
InChIInChI=1S/C21H22N4O2/c26-20(15-6-7-15)25-19-12-16(8-11-23-19)21(27)24-18-13-22-10-9-17(18)14-4-2-1-3-5-14/h1-2,4,8-13,15,20,26H,3,5-7H2,(H,23,25)(H,24,27)
InChIKeyHGUZVXYUNPUFQP-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.60
Rot. Bonds6

About N-(4-cyclohexa-1,3-dien-1-yl-3-pyridinyl)-2-[[cyclopropyl(hydroxy)methyl]amino]pyridine-4-carboxamide

N-(4-cyclohexa-1,3-dien-1-yl-3-pyridinyl)-2-[[cyclopropyl(hydroxy)methyl]amino]pyridine-4-carboxamide (PubChem CID 144842705) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(4-cyclohexa-1,3-dien-1-yl-3-pyridinyl)-2-[[cyclopropyl(hydroxy)methyl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexa-1,3-dien-1-yl-3-pyridinyl)-2-[[cyclopropyl(hydroxy)methyl]amino]pyridine-4-carboxamide
PubChem CID144842705
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(4-cyclohexa-1,3-dien-1-yl-3-pyridinyl)-2-[[cyclopropyl(hydroxy)methyl]amino]pyridine-4-carboxamide
SMILESO=C(Nc1cnccc1C1=CC=CCC1)c1ccnc(NC(O)C2CC2)c1
InChIInChI=1S/C21H22N4O2/c26-20(15-6-7-15)25-19-12-16(8-11-23-19)21(27)24-18-13-22-10-9-17(18)14-4-2-1-3-5-14/h1-2,4,8-13,15,20,26H,3,5-7H2,(H,23,25)(H,24,27)
InChIKeyHGUZVXYUNPUFQP-UHFFFAOYSA-N
XLogP3.60
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(4-cyclohexa-1,3-dien-1-yl-3-pyridinyl)-2-[[cyclopropyl(hydroxy)methyl]amino]pyridine-4-carboxamide with MolForge

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Related Compounds

2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide
CID 144842708
2-[(2,2-difluorocyclopropanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 122583837
2-[(3-oxocyclobutanecarbonyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064729
2-(cyclopropanecarbonylamino)-N-[4-(cyclopropylmethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 118070965
N-isoquinolin-5-yl-2-(methylamino)pyridine-4-carboxamide
CID 62180377
2-[(5-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064436
2-[(6-fluoro-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118064170
2-N-(3-chlorocyclobutyl)-4-N-(4-phenyl-3-pyridinyl)pyridine-2,4-dicarboxamide
CID 141452842
2-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyridine-4-carboxamide
CID 118063909
N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 63670386
2-(cycloprop-2-ene-1-carbonylamino)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)pyridine-4-carboxamide
CID 163969048
N-(4-pyridin-2-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118072352

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,3-dien-1-yl-3-pyridinyl)-2-[[cyclopropyl(hydroxy)methyl]amino]pyridine-4-carboxamide?
The IUPAC name of N-(4-cyclohexa-1,3-dien-1-yl-3-pyridinyl)-2-[[cyclopropyl(hydroxy)methyl]amino]pyridine-4-carboxamide (CID 144842705) is N-(4-cyclohexa-1,3-dien-1-yl-3-pyridinyl)-2-[[cyclopropyl(hydroxy)methyl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-cyclohexa-1,3-dien-1-yl-3-pyridinyl)-2-[[cyclopropyl(hydroxy)methyl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-(4-cyclohexa-1,3-dien-1-yl-3-pyridinyl)-2-[[cyclopropyl(hydroxy)methyl]amino]pyridine-4-carboxamide is O=C(Nc1cnccc1C1=CC=CCC1)c1ccnc(NC(O)C2CC2)c1.
What is the InChIKey of N-(4-cyclohexa-1,3-dien-1-yl-3-pyridinyl)-2-[[cyclopropyl(hydroxy)methyl]amino]pyridine-4-carboxamide?
The InChIKey is HGUZVXYUNPUFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-20(15-6-7-15)25-19-12-16(8-11-23-19)21(27)24-18-13-22-10-9-17(18)14-4-2-1-3-5-14/h1-2,4,8-13,15,20,26H,3,5-7H2,(H,23,25)(H,24,27).
What are the key properties of N-(4-cyclohexa-1,3-dien-1-yl-3-pyridinyl)-2-[[cyclopropyl(hydroxy)methyl]amino]pyridine-4-carboxamide?
N-(4-cyclohexa-1,3-dien-1-yl-3-pyridinyl)-2-[[cyclopropyl(hydroxy)methyl]amino]pyridine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-1,3-dien-1-yl-3-pyridinyl)-2-[[cyclopropyl(hydroxy)methyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 144842705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).