N-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide

C21H24N4O3 — CID 9015535

IUPACN-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccccn1)c1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H24N4O3/c1-16(23-24-21(27)19-7-3-4-12-22-19)17-8-10-18(11-9-17)28-15-20(26)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,24,27)/b23-16-
InChIKeyUWNDPACYIPMXIG-KQWNVCNZSA-N
MW380.45 g/mol
LogP2.63
Rot. Bonds6

About N-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide

N-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide (PubChem CID 9015535) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide
PubChem CID9015535
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccccn1)c1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H24N4O3/c1-16(23-24-21(27)19-7-3-4-12-22-19)17-8-10-18(11-9-17)28-15-20(26)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,24,27)/b23-16-
InChIKeyUWNDPACYIPMXIG-KQWNVCNZSA-N
XLogP2.63
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9015476
2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide
CID 9235557
N'-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]oxamide
CID 9120802
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 7934939
N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 7937167
1-[(1R,2R)-2-methylcyclohexyl]-3-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]thiourea
CID 9121962
2-[4-[(Z)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenoxy]-1-piperidin-1-ylethanone
CID 9058315
1-[(Z)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethylideneamino]-3-phenylurea
CID 9242424
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
CID 5158930
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557843
2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide
CID 6217616

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide (CID 9015535) is N-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide is C/C(=N/NC(=O)c1ccccn1)c1ccc(OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide?
The InChIKey is UWNDPACYIPMXIG-KQWNVCNZSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-16(23-24-21(27)19-7-3-4-12-22-19)17-8-10-18(11-9-17)28-15-20(26)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,24,27)/b23-16-.
What are the key properties of N-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide?
N-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]ethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 9015535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).