N-[4-[(3-aminophenyl)methylidene]cyclohexyl]pyridine-3-carboxamide

C19H21N3O — CID 89463574

IUPACN-[4-[(3-aminophenyl)methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESNc1cccc(C=C2CCC(NC(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C19H21N3O/c20-17-5-1-3-15(12-17)11-14-6-8-18(9-7-14)22-19(23)16-4-2-10-21-13-16/h1-5,10-13,18H,6-9,20H2,(H,22,23)/b14-11-
InChIKeyBBFKTAPNCODUAY-KAMYIIQDSA-N
MW307.40 g/mol
LogP3.42
Rot. Bonds3

About N-[4-[(3-aminophenyl)methylidene]cyclohexyl]pyridine-3-carboxamide

N-[4-[(3-aminophenyl)methylidene]cyclohexyl]pyridine-3-carboxamide (PubChem CID 89463574) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[4-[(3-aminophenyl)methylidene]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-aminophenyl)methylidene]cyclohexyl]pyridine-3-carboxamide
PubChem CID89463574
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[4-[(3-aminophenyl)methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESNc1cccc(C=C2CCC(NC(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C19H21N3O/c20-17-5-1-3-15(12-17)11-14-6-8-18(9-7-14)22-19(23)16-4-2-10-21-13-16/h1-5,10-13,18H,6-9,20H2,(H,22,23)/b14-11-
InChIKeyBBFKTAPNCODUAY-KAMYIIQDSA-N
XLogP3.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentylpyridine-3-carboxamide
CID 805532
N-(4-ethylcyclohexyl)pyridine-3-carboxamide
CID 25237064
N-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 108924958
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-4-carboxamide
CID 71543956
N-(oxetan-3-yl)pyridine-3-carboxamide
CID 66910448
N-[4-(imidazole-1-carbonylamino)cyclohexyl]pyridine-3-carboxamide
CID 70020378
6-amino-N-[4-[[3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
CID 89463727
2-[4-[(3-nitrophenyl)methylidene]cyclohexyl]-1-pyridin-3-ylethanone
CID 158801310
N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 175209394
N-[4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
CID 89463796
N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyridine-3-carboxamide
CID 156673154
N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide
CID 18648131

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-aminophenyl)methylidene]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(3-aminophenyl)methylidene]cyclohexyl]pyridine-3-carboxamide (CID 89463574) is N-[4-[(3-aminophenyl)methylidene]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(3-aminophenyl)methylidene]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(3-aminophenyl)methylidene]cyclohexyl]pyridine-3-carboxamide is Nc1cccc(C=C2CCC(NC(=O)c3cccnc3)CC2)c1.
What is the InChIKey of N-[4-[(3-aminophenyl)methylidene]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is BBFKTAPNCODUAY-KAMYIIQDSA-N. The full InChI is InChI=1S/C19H21N3O/c20-17-5-1-3-15(12-17)11-14-6-8-18(9-7-14)22-19(23)16-4-2-10-21-13-16/h1-5,10-13,18H,6-9,20H2,(H,22,23)/b14-11-.
What are the key properties of N-[4-[(3-aminophenyl)methylidene]cyclohexyl]pyridine-3-carboxamide?
N-[4-[(3-aminophenyl)methylidene]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-aminophenyl)methylidene]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 89463574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).