N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

C19H30N4O — CID 131914638

IUPACN-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESCc1cnccc1NCCNC(=O)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C19H30N4O/c1-16-15-20-10-7-17(16)21-11-12-22-18(24)19(8-3-2-4-9-19)23-13-5-6-14-23/h7,10,15H,2-6,8-9,11-14H2,1H3,(H,20,21)(H,22,24)
InChIKeyGQWBFELKSHENTI-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.72
Rot. Bonds6

About N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (PubChem CID 131914638) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
PubChem CID131914638
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESCc1cnccc1NCCNC(=O)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C19H30N4O/c1-16-15-20-10-7-17(16)21-11-12-22-18(24)19(8-3-2-4-9-19)23-13-5-6-14-23/h7,10,15H,2-6,8-9,11-14H2,1H3,(H,20,21)(H,22,24)
InChIKeyGQWBFELKSHENTI-UHFFFAOYSA-N
XLogP2.72
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72894497
1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 65122535
trans-(1S,3S)-3-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]cyclohexane-1-carboxamide
CID 91772201
2-(1,3-dihydroisoindol-2-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 131922886
4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide
CID 119063054
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide
CID 131906584
(2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide
CID 126451165
2,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,3-oxazole-5-carboxamide
CID 131920957
(2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 126448162
2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 131945076
1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide
CID 91787819
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-piperidin-1-ylcyclohexane-1-carboxamide
CID 135990316

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (CID 131914638) is N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is Cc1cnccc1NCCNC(=O)C1(N2CCCC2)CCCCC1.
What is the InChIKey of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is GQWBFELKSHENTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-16-15-20-10-7-17(16)21-11-12-22-18(24)19(8-3-2-4-9-19)23-13-5-6-14-23/h7,10,15H,2-6,8-9,11-14H2,1H3,(H,20,21)(H,22,24).
What are the key properties of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 131914638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).