N-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide

C18H23N5O — CID 96566222

IUPACN-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N[C@H]2CCCC[C@H]2n2cccn2)nc1
InChIInChI=1S/C18H23N5O/c1-2-10-19-18(24)14-8-9-17(20-13-14)22-15-6-3-4-7-16(15)23-12-5-11-21-23/h2,5,8-9,11-13,15-16H,1,3-4,6-7,10H2,(H,19,24)(H,20,22)/t15-,16+/m0/s1
InChIKeyHKVOPJNFVCJYIF-JKSUJKDBSA-N
MW325.42 g/mol
LogP2.79
Rot. Bonds6

About N-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide

N-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide (PubChem CID 96566222) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide
PubChem CID96566222
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N[C@H]2CCCC[C@H]2n2cccn2)nc1
InChIInChI=1S/C18H23N5O/c1-2-10-19-18(24)14-8-9-17(20-13-14)22-15-6-3-4-7-16(15)23-12-5-11-21-23/h2,5,8-9,11-13,15-16H,1,3-4,6-7,10H2,(H,19,24)(H,20,22)/t15-,16+/m0/s1
InChIKeyHKVOPJNFVCJYIF-JKSUJKDBSA-N
XLogP2.79
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
6-[[3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 71875696
6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 97017820
6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133473407
6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133495372
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043526
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-prop-2-enylbenzamide
CID 82823800
6-chloro-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]pyrazin-2-amine
CID 95968560
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide?
The IUPAC name of N-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide (CID 96566222) is N-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide is C=CCNC(=O)c1ccc(N[C@H]2CCCC[C@H]2n2cccn2)nc1.
What is the InChIKey of N-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide?
The InChIKey is HKVOPJNFVCJYIF-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-10-19-18(24)14-8-9-17(20-13-14)22-15-6-3-4-7-16(15)23-12-5-11-21-23/h2,5,8-9,11-13,15-16H,1,3-4,6-7,10H2,(H,19,24)(H,20,22)/t15-,16+/m0/s1.
What are the key properties of N-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide?
N-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 96566222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).