N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide

C25H26N4O3 — CID 55610497

IUPACN-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C25H26N4O3/c1-17(2)23(29-22(30)15-18-7-4-3-5-8-18)25(32)28-21-10-6-9-20(16-21)27-24(31)19-11-13-26-14-12-19/h3-14,16-17,23H,15H2,1-2H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyNSGPAJJIAJJVTN-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.66
Rot. Bonds8

About N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide

N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide (PubChem CID 55610497) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide
PubChem CID55610497
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C25H26N4O3/c1-17(2)23(29-22(30)15-18-7-4-3-5-8-18)25(32)28-21-10-6-9-20(16-21)27-24(31)19-11-13-26-14-12-19/h3-14,16-17,23H,15H2,1-2H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyNSGPAJJIAJJVTN-UHFFFAOYSA-N
XLogP3.66
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide with MolForge

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Related Compounds

(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 9038834
(2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide
CID 96526958
benzyl N-[(2S)-1-(3-benzamidoanilino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 55939827
3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide
CID 55766078
(2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 8927212
3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 55416154
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide
CID 60575847
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
methyl 3-[2-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]ethynyl]benzoate
CID 55549663
N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide
CID 17222895
3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 60581087
3-methyl-2-[(2-phenoxyacetyl)amino]-N-pyridin-4-ylbutanamide
CID 51193908

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide (CID 55610497) is N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide is CC(C)C(NC(=O)Cc1ccccc1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide?
The InChIKey is NSGPAJJIAJJVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-17(2)23(29-22(30)15-18-7-4-3-5-8-18)25(32)28-21-10-6-9-20(16-21)27-24(31)19-11-13-26-14-12-19/h3-14,16-17,23H,15H2,1-2H3,(H,27,31)(H,28,32)(H,29,30).
What are the key properties of N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide?
N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55610497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).