2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-ethylpyridine-4-carboxamide

C20H30N6O — CID 97191265

IUPAC2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-ethylpyridine-4-carboxamide
SMILESCCNC(=O)c1ccnc(N2CCC[C@H](c3nccn3CCN(C)C)C2)c1
InChIInChI=1S/C20H30N6O/c1-4-21-20(27)16-7-8-22-18(14-16)26-10-5-6-17(15-26)19-23-9-11-25(19)13-12-24(2)3/h7-9,11,14,17H,4-6,10,12-13,15H2,1-3H3,(H,21,27)/t17-/m0/s1
InChIKeyKWPIWFNDMKFRRH-KRWDZBQOSA-N
MW370.50 g/mol
LogP1.97
Rot. Bonds7

About 2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-ethylpyridine-4-carboxamide

2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-ethylpyridine-4-carboxamide (PubChem CID 97191265) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-ethylpyridine-4-carboxamide
PubChem CID97191265
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-ethylpyridine-4-carboxamide
SMILESCCNC(=O)c1ccnc(N2CCC[C@H](c3nccn3CCN(C)C)C2)c1
InChIInChI=1S/C20H30N6O/c1-4-21-20(27)16-7-8-22-18(14-16)26-10-5-6-17(15-26)19-23-9-11-25(19)13-12-24(2)3/h7-9,11,14,17H,4-6,10,12-13,15H2,1-3H3,(H,21,27)/t17-/m0/s1
InChIKeyKWPIWFNDMKFRRH-KRWDZBQOSA-N
XLogP1.97
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide
CID 97200001
N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 97211142
5-chloro-6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 72920180
2-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72895526
(3,4-dimethoxyphenyl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72883629
2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 97115819
6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 97207615
(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 97202915
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 97202742
N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine
CID 72863111
1-[5-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 72842343
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 97198762

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-ethylpyridine-4-carboxamide?
The IUPAC name of 2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-ethylpyridine-4-carboxamide (CID 97191265) is 2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for 2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-ethylpyridine-4-carboxamide?
The canonical SMILES for 2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-ethylpyridine-4-carboxamide is CCNC(=O)c1ccnc(N2CCC[C@H](c3nccn3CCN(C)C)C2)c1.
What is the InChIKey of 2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-ethylpyridine-4-carboxamide?
The InChIKey is KWPIWFNDMKFRRH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30N6O/c1-4-21-20(27)16-7-8-22-18(14-16)26-10-5-6-17(15-26)19-23-9-11-25(19)13-12-24(2)3/h7-9,11,14,17H,4-6,10,12-13,15H2,1-3H3,(H,21,27)/t17-/m0/s1.
What are the key properties of 2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-ethylpyridine-4-carboxamide?
2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-ethylpyridine-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 97191265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).