5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride

C17H21ClN4O — CID 67240535

IUPAC5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride
SMILESCc1cnc(C(=O)Nc2ccc(C3CCCNC3)cc2)cn1.Cl
InChIInChI=1S/C17H20N4O.ClH/c1-12-9-20-16(11-19-12)17(22)21-15-6-4-13(5-7-15)14-3-2-8-18-10-14;/h4-7,9,11,14,18H,2-3,8,10H2,1H3,(H,21,22);1H
InChIKeyMMDPQTVQCHLNSH-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.93
Rot. Bonds3

About 5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride

5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride (PubChem CID 67240535) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride
PubChem CID67240535
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride
SMILESCc1cnc(C(=O)Nc2ccc(C3CCCNC3)cc2)cn1.Cl
InChIInChI=1S/C17H20N4O.ClH/c1-12-9-20-16(11-19-12)17(22)21-15-6-4-13(5-7-15)14-3-2-8-18-10-14;/h4-7,9,11,14,18H,2-3,8,10H2,1H3,(H,21,22);1H
InChIKeyMMDPQTVQCHLNSH-UHFFFAOYSA-N
XLogP2.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride
CID 67241132
N-(4-methylphenyl)-4-piperidin-3-ylpyridine-2-carboxamide
CID 110257606
4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 124566433
2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide
CID 87320848
N-(4-iodophenyl)-5-methylpyrazine-2-carboxamide
CID 2388228
N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide
CID 95825774
3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide
CID 175718166
N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide
CID 67241110
4-ethoxy-N-[4-[(3R)-piperidin-3-yl]phenyl]benzamide
CID 124566261
5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide
CID 37396639
N-(4-piperidin-3-ylphenyl)-4-propylbenzamide
CID 53251423
3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 160533406

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride (CID 67240535) is 5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride is Cc1cnc(C(=O)Nc2ccc(C3CCCNC3)cc2)cn1.Cl.
What is the InChIKey of 5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride?
The InChIKey is MMDPQTVQCHLNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O.ClH/c1-12-9-20-16(11-19-12)17(22)21-15-6-4-13(5-7-15)14-3-2-8-18-10-14;/h4-7,9,11,14,18H,2-3,8,10H2,1H3,(H,21,22);1H.
What are the key properties of 5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride?
5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride has a molecular weight of 332.84 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 67240535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).