N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide

C16H18N4O — CID 50854256

IUPACN-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C\c1ccn(C2CCCC2)c1)c1ccncc1
InChIInChI=1S/C16H18N4O/c21-16(14-5-8-17-9-6-14)19-18-11-13-7-10-20(12-13)15-3-1-2-4-15/h5-12,15H,1-4H2,(H,19,21)/b18-11-
InChIKeyMYEMVZQYWWDGSH-WQRHYEAKSA-N
MW282.35 g/mol
LogP2.76
Rot. Bonds4

About N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide

N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide (PubChem CID 50854256) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide
PubChem CID50854256
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C\c1ccn(C2CCCC2)c1)c1ccncc1
InChIInChI=1S/C16H18N4O/c21-16(14-5-8-17-9-6-14)19-18-11-13-7-10-20(12-13)15-3-1-2-4-15/h5-12,15H,1-4H2,(H,19,21)/b18-11-
InChIKeyMYEMVZQYWWDGSH-WQRHYEAKSA-N
XLogP2.76
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-3-hydroxybenzamide
CID 50854205
2,4-dichloro-N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]benzamide
CID 50854202
N-[(E)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 50854462
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide
CID 50854504
N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 50854226
N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 50854369
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 50854136
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
N-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 126171061
4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 5391862

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide (CID 50854256) is N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C\c1ccn(C2CCCC2)c1)c1ccncc1.
What is the InChIKey of N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is MYEMVZQYWWDGSH-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(14-5-8-17-9-6-14)19-18-11-13-7-10-20(12-13)15-3-1-2-4-15/h5-12,15H,1-4H2,(H,19,21)/b18-11-.
What are the key properties of N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide?
N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-cyclopentylpyrrol-3-yl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 50854256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).