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

C16H18N4O — CID 94565002

IUPAC(1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1ccnc(-n2ccnc2)c1)[C@@H]1CC=CCC1
InChIInChI=1S/C16H18N4O/c21-16(14-4-2-1-3-5-14)19-11-13-6-7-18-15(10-13)20-9-8-17-12-20/h1-2,6-10,12,14H,3-5,11H2,(H,19,21)/t14-/m1/s1
InChIKeyAMNHOOMWYQJIGD-CQSZACIVSA-N
MW282.35 g/mol
LogP2.24
Rot. Bonds4

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

(1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 94565002) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID94565002
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1ccnc(-n2ccnc2)c1)[C@@H]1CC=CCC1
InChIInChI=1S/C16H18N4O/c21-16(14-4-2-1-3-5-14)19-11-13-6-7-18-15(10-13)20-9-8-17-12-20/h1-2,6-10,12,14H,3-5,11H2,(H,19,21)/t14-/m1/s1
InChIKeyAMNHOOMWYQJIGD-CQSZACIVSA-N
XLogP2.24
TPSA59.81 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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide
CID 119859955
1-(2-hydroxycyclohexyl)-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea
CID 110933396
2-(cyclopropylmethylamino)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
CID 119859974
4-cyclohexyl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 60526309
1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea
CID 95933124
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71868402
3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methyl-1-(3-methylsulfanylcyclopentyl)urea
CID 71920804
N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide
CID 119106241
1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea
CID 109398554
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide
CID 47060911
1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 134813239
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 136523432

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide (CID 94565002) is (1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide is O=C(NCc1ccnc(-n2ccnc2)c1)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is AMNHOOMWYQJIGD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(14-4-2-1-3-5-14)19-11-13-6-7-18-15(10-13)20-9-8-17-12-20/h1-2,6-10,12,14H,3-5,11H2,(H,19,21)/t14-/m1/s1.
What are the key properties of (1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 94565002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).