2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide

C25H28N4O — CID 90394099

IUPAC2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cccnc2NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C25H28N4O/c1-19-7-5-10-22(17-19)28-25(30)23-11-6-14-26-24(23)27-21-12-15-29(16-13-21)18-20-8-3-2-4-9-20/h2-11,14,17,21H,12-13,15-16,18H2,1H3,(H,26,27)(H,28,30)
InChIKeySDJDKKXJJLQZDA-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.72
Rot. Bonds6

About 2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide

2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 90394099) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID90394099
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cccnc2NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C25H28N4O/c1-19-7-5-10-22(17-19)28-25(30)23-11-6-14-26-24(23)27-21-12-15-29(16-13-21)18-20-8-3-2-4-9-20/h2-11,14,17,21H,12-13,15-16,18H2,1H3,(H,26,27)(H,28,30)
InChIKeySDJDKKXJJLQZDA-UHFFFAOYSA-N
XLogP4.72
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 71495429
2-[(1-benzylpiperidin-4-yl)amino]-6-chloro-N-(3-chlorophenyl)-5-fluoropyridine-3-carboxamide
CID 71495154
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide
CID 55745402
[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 135105421
N-(4-bromophenyl)-2-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 133320105
2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 154746519
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
2-(2-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632686
N-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide
CID 71496162
N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925
2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)propanamide
CID 42858680
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide (CID 90394099) is 2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide is Cc1cccc(NC(=O)c2cccnc2NC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is SDJDKKXJJLQZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-19-7-5-10-22(17-19)28-25(30)23-11-6-14-26-24(23)27-21-12-15-29(16-13-21)18-20-8-3-2-4-9-20/h2-11,14,17,21H,12-13,15-16,18H2,1H3,(H,26,27)(H,28,30).
What are the key properties of 2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide?
2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 90394099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).