4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide

C16H21ClN6O — CID 125447527

IUPAC4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide
SMILESCc1cnc([C@H](C)NC(=O)N2CCN(c3ccc(Cl)cn3)CC2)[nH]1
InChIInChI=1S/C16H21ClN6O/c1-11-9-19-15(20-11)12(2)21-16(24)23-7-5-22(6-8-23)14-4-3-13(17)10-18-14/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,20)(H,21,24)/t12-/m0/s1
InChIKeyYFVOZPGYNZGGIY-LBPRGKRZSA-N
MW348.84 g/mol
LogP2.36
Rot. Bonds3

About 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide

4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide (PubChem CID 125447527) has the molecular formula C16H21ClN6O and a molecular weight of 348.84 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide
PubChem CID125447527
Molecular FormulaC16H21ClN6O
Molecular Weight348.84 g/mol
Exact Mass348.15
IUPAC Name4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide
SMILESCc1cnc([C@H](C)NC(=O)N2CCN(c3ccc(Cl)cn3)CC2)[nH]1
InChIInChI=1S/C16H21ClN6O/c1-11-9-19-15(20-11)12(2)21-16(24)23-7-5-22(6-8-23)14-4-3-13(17)10-18-14/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,20)(H,21,24)/t12-/m0/s1
InChIKeyYFVOZPGYNZGGIY-LBPRGKRZSA-N
XLogP2.36
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide
CID 75464207
4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 96519241
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 94781788
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone
CID 72577389
4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide
CID 125438765
4-(5-chloro-2-pyridinyl)-N-[(2R)-2-methoxy-3,3-dimethylbutyl]piperazine-1-carboxamide
CID 95905728
[4-(1-aminoethyl)phenyl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 166238468
(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 56564765
2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119848016
(2S)-2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119848044
N-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 94659172
4-(5-chloro-2-pyridinyl)-N-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
CID 75506359

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide (CID 125447527) is 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide is Cc1cnc([C@H](C)NC(=O)N2CCN(c3ccc(Cl)cn3)CC2)[nH]1.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is YFVOZPGYNZGGIY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21ClN6O/c1-11-9-19-15(20-11)12(2)21-16(24)23-7-5-22(6-8-23)14-4-3-13(17)10-18-14/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,20)(H,21,24)/t12-/m0/s1.
What are the key properties of 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide?
4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 348.84 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 125447527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).