2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide

C16H19N5O — CID 39776331

IUPAC2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide
SMILESCc1cc(N2CCN(c3cc(C(N)=O)ccn3)CC2)ccn1
InChIInChI=1S/C16H19N5O/c1-12-10-14(3-5-18-12)20-6-8-21(9-7-20)15-11-13(16(17)22)2-4-19-15/h2-5,10-11H,6-9H2,1H3,(H2,17,22)
InChIKeyYAORKAOESVEIQV-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.21
Rot. Bonds3

About 2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide

2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide (PubChem CID 39776331) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide
PubChem CID39776331
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide
SMILESCc1cc(N2CCN(c3cc(C(N)=O)ccn3)CC2)ccn1
InChIInChI=1S/C16H19N5O/c1-12-10-14(3-5-18-12)20-6-8-21(9-7-20)15-11-13(16(17)22)2-4-19-15/h2-5,10-11H,6-9H2,1H3,(H2,17,22)
InChIKeyYAORKAOESVEIQV-UHFFFAOYSA-N
XLogP1.21
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-carbamoyl-2-pyridinyl)-4-methylpiperidine-4-carboxylic acid
CID 63124598
(3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 133464338
2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide
CID 139934483
3-hydroxy-1-(2-methyl-4-pyridinyl)piperidine-3-carboxamide
CID 128964534
2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]pyridine-4-carboxamide
CID 56757810
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide
CID 72938937
2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 72916320
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
CID 2762483
2-(2-methylimidazol-1-yl)pyridine-4-carboxamide
CID 63811666
3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325196
4-(2-methyl-4-pyridinyl)morpholine-2-carboxamide
CID 133464225

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide (CID 39776331) is 2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide is Cc1cc(N2CCN(c3cc(C(N)=O)ccn3)CC2)ccn1.
What is the InChIKey of 2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide?
The InChIKey is YAORKAOESVEIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12-10-14(3-5-18-12)20-6-8-21(9-7-20)15-11-13(16(17)22)2-4-19-15/h2-5,10-11H,6-9H2,1H3,(H2,17,22).
What are the key properties of 2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide?
2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 39776331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).