(1S)-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide

C18H19N3O — CID 100742816

IUPAC(1S)-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1cccnc1-c1ccncc1)[C@@H]1CC=CCC1
InChIInChI=1S/C18H19N3O/c22-18(15-5-2-1-3-6-15)21-13-16-7-4-10-20-17(16)14-8-11-19-12-9-14/h1-2,4,7-12,15H,3,5-6,13H2,(H,21,22)/t15-/m1/s1
InChIKeyVCTZRXUXERHLJN-OAHLLOKOSA-N
MW293.37 g/mol
LogP3.12
Rot. Bonds4

About (1S)-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide

(1S)-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 100742816) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is (1S)-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID100742816
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name(1S)-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1cccnc1-c1ccncc1)[C@@H]1CC=CCC1
InChIInChI=1S/C18H19N3O/c22-18(15-5-2-1-3-6-15)21-13-16-7-4-10-20-17(16)14-8-11-19-12-9-14/h1-2,4,7-12,15H,3,5-6,13H2,(H,21,22)/t15-/m1/s1
InChIKeyVCTZRXUXERHLJN-OAHLLOKOSA-N
XLogP3.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S)-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide with MolForge

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Related Compounds

(1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 35511492
(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 9401002
N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560
(1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 32601690
(1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 31644447
2,2-diphenyl-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]acetamide
CID 91816035
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 42943354
(1S)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
CID 99877543
(1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
CID 94565002
N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 42944706
(1S)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 99845328
1-[(2-pyridin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 91816064

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide (CID 100742816) is (1S)-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide is O=C(NCc1cccnc1-c1ccncc1)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is VCTZRXUXERHLJN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N3O/c22-18(15-5-2-1-3-6-15)21-13-16-7-4-10-20-17(16)14-8-11-19-12-9-14/h1-2,4,7-12,15H,3,5-6,13H2,(H,21,22)/t15-/m1/s1.
What are the key properties of (1S)-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 100742816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).