N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

C19H24N4O — CID 109208236

IUPACN-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(N3CCN(C)CC3)ccn2)cc1
InChIInChI=1S/C19H24N4O/c1-15-3-5-16(6-4-15)14-21-19(24)18-13-17(7-8-20-18)23-11-9-22(2)10-12-23/h3-8,13H,9-12,14H2,1-2H3,(H,21,24)
InChIKeyIUQZBDZYWMOVBG-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.07
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109208236) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109208236
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(N3CCN(C)CC3)ccn2)cc1
InChIInChI=1S/C19H24N4O/c1-15-3-5-16(6-4-15)14-21-19(24)18-13-17(7-8-20-18)23-11-9-22(2)10-12-23/h3-8,13H,9-12,14H2,1-2H3,(H,21,24)
InChIKeyIUQZBDZYWMOVBG-UHFFFAOYSA-N
XLogP2.07
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208245
4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202089
4-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210448
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394
N-[(3-methylphenyl)methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109210191
ethyl 4-[2-[(4-fluorophenyl)methylcarbamoyl]-4-pyridinyl]piperazine-1-carboxylate
CID 109211400
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide
CID 133342674
N-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 99634295
N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169913
N-[(4-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084148
N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208280

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (CID 109208236) is N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is Cc1ccc(CNC(=O)c2cc(N3CCN(C)CC3)ccn2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is IUQZBDZYWMOVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-3-5-16(6-4-15)14-21-19(24)18-13-17(7-8-20-18)23-11-9-22(2)10-12-23/h3-8,13H,9-12,14H2,1-2H3,(H,21,24).
What are the key properties of N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109208236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).