N-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-methylbenzamide

C26H30N4O — CID 44528244

IUPACN-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccnc(N3CCC(N(C)Cc4ccccc4)CC3)c2)c1
InChIInChI=1S/C26H30N4O/c1-20-7-6-10-22(17-20)26(31)28-23-11-14-27-25(18-23)30-15-12-24(13-16-30)29(2)19-21-8-4-3-5-9-21/h3-11,14,17-18,24H,12-13,15-16,19H2,1-2H3,(H,27,28,31)
InChIKeyWBJPILUBAAHXSD-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.74
Rot. Bonds6

About N-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-methylbenzamide

N-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-methylbenzamide (PubChem CID 44528244) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-methylbenzamide
PubChem CID44528244
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC NameN-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccnc(N3CCC(N(C)Cc4ccccc4)CC3)c2)c1
InChIInChI=1S/C26H30N4O/c1-20-7-6-10-22(17-20)26(31)28-23-11-14-27-25(18-23)30-15-12-24(13-16-30)29(2)19-21-8-4-3-5-9-21/h3-11,14,17-18,24H,12-13,15-16,19H2,1-2H3,(H,27,28,31)
InChIKeyWBJPILUBAAHXSD-UHFFFAOYSA-N
XLogP4.74
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 45480709
3-fluoro-N-[2-[4-[(3-fluorophenyl)methyl-methylamino]piperidin-1-yl]-4-pyridinyl]benzamide
CID 44528272
N-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide
CID 44528177
3-methyl-N-[2-[methyl-[1-(2-methylpropyl)piperidin-4-yl]amino]-4-pyridinyl]benzamide
CID 44528288
N-[2-[3-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 45481467
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112848
3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054531
N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide
CID 145450109
N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide
CID 106910927
N-benzyl-N-methyl-1-[(3-methylphenyl)methyl]piperidin-4-amine;oxalic acid
CID 17369343
N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574864
2-[benzyl(ethyl)amino]-5-[(3-methylbenzoyl)amino]benzoic acid
CID 50807406

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-methylbenzamide?
The IUPAC name of N-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-methylbenzamide (CID 44528244) is N-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccnc(N3CCC(N(C)Cc4ccccc4)CC3)c2)c1.
What is the InChIKey of N-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-methylbenzamide?
The InChIKey is WBJPILUBAAHXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-20-7-6-10-22(17-20)26(31)28-23-11-14-27-25(18-23)30-15-12-24(13-16-30)29(2)19-21-8-4-3-5-9-21/h3-11,14,17-18,24H,12-13,15-16,19H2,1-2H3,(H,27,28,31).
What are the key properties of N-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-methylbenzamide?
N-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-methylbenzamide has a molecular weight of 414.55 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-methylbenzamide is sourced from PubChem (CID 44528244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).