(4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide

C19H30N4O — CID 125141015

IUPAC(4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide
SMILESCc1cccc(CCNC(=O)N2CCC[C@H](N3CCCC3)CC2)n1
InChIInChI=1S/C19H30N4O/c1-16-6-4-7-17(21-16)9-11-20-19(24)23-14-5-8-18(10-15-23)22-12-2-3-13-22/h4,6-7,18H,2-3,5,8-15H2,1H3,(H,20,24)/t18-/m0/s1
InChIKeyUHBSYTOMFHFYAX-SFHVURJKSA-N
MW330.48 g/mol
LogP2.59
Rot. Bonds4

About (4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide

(4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide (PubChem CID 125141015) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is (4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide.

Molecular Properties

Compound Name(4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide
PubChem CID125141015
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name(4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide
SMILESCc1cccc(CCNC(=O)N2CCC[C@H](N3CCCC3)CC2)n1
InChIInChI=1S/C19H30N4O/c1-16-6-4-7-17(21-16)9-11-20-19(24)23-14-5-8-18(10-15-23)22-12-2-3-13-22/h4,6-7,18H,2-3,5,8-15H2,1H3,(H,20,24)/t18-/m0/s1
InChIKeyUHBSYTOMFHFYAX-SFHVURJKSA-N
XLogP2.59
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide
CID 126428645
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 95539357
4-[3-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-N-pentylpiperidine-1-carboxamide
CID 23626884
2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 62675042
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
N-(3-phenylprop-2-ynyl)-4-piperidin-1-ylpiperidine-1-carboxamide
CID 56814231
2-methyl-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 74234895
9-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 121495253
1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43318489
3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411343
N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 29153099
N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 162654990

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide?
The IUPAC name of (4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide (CID 125141015) is (4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide.
What is the SMILES notation for (4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide?
The canonical SMILES for (4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide is Cc1cccc(CCNC(=O)N2CCC[C@H](N3CCCC3)CC2)n1.
What is the InChIKey of (4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide?
The InChIKey is UHBSYTOMFHFYAX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H30N4O/c1-16-6-4-7-17(21-16)9-11-20-19(24)23-14-5-8-18(10-15-23)22-12-2-3-13-22/h4,6-7,18H,2-3,5,8-15H2,1H3,(H,20,24)/t18-/m0/s1.
What are the key properties of (4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide?
(4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide is sourced from PubChem (CID 125141015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).