6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide

C16H23N3O2 — CID 97022282

IUPAC6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N[C@@H]2CCC[C@]2(C)CO)nc1
InChIInChI=1S/C16H23N3O2/c1-3-9-17-15(21)12-6-7-14(18-10-12)19-13-5-4-8-16(13,2)11-20/h3,6-7,10,13,20H,1,4-5,8-9,11H2,2H3,(H,17,21)(H,18,19)/t13-,16-/m1/s1
InChIKeyHHPBKQAFFNKVCT-CZUORRHYSA-N
MW289.38 g/mol
LogP1.96
Rot. Bonds6

About 6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide

6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 97022282) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID97022282
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N[C@@H]2CCC[C@]2(C)CO)nc1
InChIInChI=1S/C16H23N3O2/c1-3-9-17-15(21)12-6-7-14(18-10-12)19-13-5-4-8-16(13,2)11-20/h3,6-7,10,13,20H,1,4-5,8-9,11H2,2H3,(H,17,21)(H,18,19)/t13-,16-/m1/s1
InChIKeyHHPBKQAFFNKVCT-CZUORRHYSA-N
XLogP1.96
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.96
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-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340452
4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide
CID 79860273
6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133378451
6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 97017820
6-[[3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 71875696
6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133306917
N-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide
CID 96566222
6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133473407
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133302745
N-ethyl-6-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridine-3-carboxamide
CID 133439056

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide (CID 97022282) is 6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(N[C@@H]2CCC[C@]2(C)CO)nc1.
What is the InChIKey of 6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is HHPBKQAFFNKVCT-CZUORRHYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-9-17-15(21)12-6-7-14(18-10-12)19-13-5-4-8-16(13,2)11-20/h3,6-7,10,13,20H,1,4-5,8-9,11H2,2H3,(H,17,21)(H,18,19)/t13-,16-/m1/s1.
What are the key properties of 6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 97022282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).