(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide

C15H20N6O — CID 129472974

IUPAC(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cccnc2)C[C@H]1c1nccn1C
InChIInChI=1S/C15H20N6O/c1-19-8-9-21(11-13(19)14-17-6-7-20(14)2)15(22)18-12-4-3-5-16-10-12/h3-7,10,13H,8-9,11H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyBGZMVPHARXIFJC-ZDUSSCGKSA-N
MW300.37 g/mol
LogP1.34
Rot. Bonds2

About (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide

(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide (PubChem CID 129472974) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
PubChem CID129472974
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cccnc2)C[C@H]1c1nccn1C
InChIInChI=1S/C15H20N6O/c1-19-8-9-21(11-13(19)14-17-6-7-20(14)2)15(22)18-12-4-3-5-16-10-12/h3-7,10,13H,8-9,11H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyBGZMVPHARXIFJC-ZDUSSCGKSA-N
XLogP1.34
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-(2-methyl-4-pyridinyl)piperazine-1-carboxamide
CID 129477791
(3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 129478300
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone
CID 129340377
(3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 129339331
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]piperazine-1-carboxamide
CID 129353487
[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129478430
(5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129474214
(5-fluoro-2-pyridinyl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128966106
(3R)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 129335168
4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 128997791
1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129478608

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide?
The IUPAC name of (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide (CID 129472974) is (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2cccnc2)C[C@H]1c1nccn1C.
What is the InChIKey of (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide?
The InChIKey is BGZMVPHARXIFJC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N6O/c1-19-8-9-21(11-13(19)14-17-6-7-20(14)2)15(22)18-12-4-3-5-16-10-12/h3-7,10,13H,8-9,11H2,1-2H3,(H,18,22)/t13-/m0/s1.
What are the key properties of (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide?
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 129472974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).