N-benzhydryl-3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide

C25H28N4O2 — CID 56526707

IUPACN-benzhydryl-3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
SMILESCc1ccnc(NC(=O)CN(C)CCC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H28N4O2/c1-19-13-15-26-22(17-19)27-24(31)18-29(2)16-14-23(30)28-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-13,15,17,25H,14,16,18H2,1-2H3,(H,28,30)(H,26,27,31)
InChIKeyMUZYRPREAILLIL-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.56
Rot. Bonds9

About N-benzhydryl-3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide

N-benzhydryl-3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide (PubChem CID 56526707) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-benzhydryl-3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-benzhydryl-3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
PubChem CID56526707
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-benzhydryl-3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
SMILESCc1ccnc(NC(=O)CN(C)CCC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H28N4O2/c1-19-13-15-26-22(17-19)27-24(31)18-29(2)16-14-23(30)28-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-13,15,17,25H,14,16,18H2,1-2H3,(H,28,30)(H,26,27,31)
InChIKeyMUZYRPREAILLIL-UHFFFAOYSA-N
XLogP3.56
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 51075766
N-[2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]benzamide
CID 56523143
4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide
CID 63324069
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 56526675
N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 1251693
(2S)-2-amino-N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 104897124
N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide
CID 101440867
methyl (2S)-2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate
CID 95294721
N'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide
CID 108518877
2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide
CID 1094082
(3R)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95335512

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide?
The IUPAC name of N-benzhydryl-3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide (CID 56526707) is N-benzhydryl-3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-benzhydryl-3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-benzhydryl-3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide is Cc1ccnc(NC(=O)CN(C)CCC(=O)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-benzhydryl-3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide?
The InChIKey is MUZYRPREAILLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-19-13-15-26-22(17-19)27-24(31)18-29(2)16-14-23(30)28-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-13,15,17,25H,14,16,18H2,1-2H3,(H,28,30)(H,26,27,31).
What are the key properties of N-benzhydryl-3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide?
N-benzhydryl-3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide has a molecular weight of 416.53 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 56526707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).