6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide

C19H28N4O2 — CID 97017820

IUPAC6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)nc1
InChIInChI=1S/C19H28N4O2/c1-4-10-20-18(24)15-8-9-17(21-12-15)23-16-7-5-6-14(11-16)19(25)22-13(2)3/h4,8-9,12-14,16H,1,5-7,10-11H2,2-3H3,(H,20,24)(H,21,23)(H,22,25)/t14-,16+/m0/s1
InChIKeyMAPSIANZYYTCFJ-GOEBONIOSA-N
MW344.46 g/mol
LogP2.49
Rot. Bonds7

About 6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide

6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 97017820) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID97017820
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)nc1
InChIInChI=1S/C19H28N4O2/c1-4-10-20-18(24)15-8-9-17(21-12-15)23-16-7-5-6-14(11-16)19(25)22-13(2)3/h4,8-9,12-14,16H,1,5-7,10-11H2,2-3H3,(H,20,24)(H,21,23)(H,22,25)/t14-,16+/m0/s1
InChIKeyMAPSIANZYYTCFJ-GOEBONIOSA-N
XLogP2.49
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 71875696
6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133473407
6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133378451
6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133306917
6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 97022282
N-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide
CID 96566222
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133302745
cis-(1S,3R)-3-[(5-bromopyrimidin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 95770562
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510
4-phenyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]benzamide
CID 86961225
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
3-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 133339717

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide (CID 97017820) is 6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)nc1.
What is the InChIKey of 6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is MAPSIANZYYTCFJ-GOEBONIOSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-10-20-18(24)15-8-9-17(21-12-15)23-16-7-5-6-14(11-16)19(25)22-13(2)3/h4,8-9,12-14,16H,1,5-7,10-11H2,2-3H3,(H,20,24)(H,21,23)(H,22,25)/t14-,16+/m0/s1.
What are the key properties of 6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 97017820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).