3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide

C26H29N3O2 — CID 142144640

IUPAC3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ncccc1-c1ccccc1CNC(=O)C[C@@H](C)c1ccccc1
InChIInChI=1S/C26H29N3O2/c1-3-15-28-26(31)25-23(14-9-16-27-25)22-13-8-7-12-21(22)18-29-24(30)17-19(2)20-10-5-4-6-11-20/h4-14,16,19H,3,15,17-18H2,1-2H3,(H,28,31)(H,29,30)/t19-/m1/s1
InChIKeySKKADBVQFYQHNN-LJQANCHMSA-N
MW415.54 g/mol
LogP4.70
Rot. Bonds9

About 3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide

3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide (PubChem CID 142144640) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide
PubChem CID142144640
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ncccc1-c1ccccc1CNC(=O)C[C@@H](C)c1ccccc1
InChIInChI=1S/C26H29N3O2/c1-3-15-28-26(31)25-23(14-9-16-27-25)22-13-8-7-12-21(22)18-29-24(30)17-19(2)20-10-5-4-6-11-20/h4-14,16,19H,3,15,17-18H2,1-2H3,(H,28,31)(H,29,30)/t19-/m1/s1
InChIKeySKKADBVQFYQHNN-LJQANCHMSA-N
XLogP4.70
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-(3-methylbutylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
CID 22667751
(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 95215139
propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
CID 142144649
3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 104742250
3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyridine-2-carboxylic acid
CID 12017234
(3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide
CID 51948261
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 55692566
ethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
CID 142144655
3,3-diphenyl-N-propylpropanamide
CID 4638647
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
3-amino-N-(2-phenylpropyl)pyridine-2-carboxamide
CID 104742039

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide?
The IUPAC name of 3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide (CID 142144640) is 3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide?
The canonical SMILES for 3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide is CCCNC(=O)c1ncccc1-c1ccccc1CNC(=O)C[C@@H](C)c1ccccc1.
What is the InChIKey of 3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide?
The InChIKey is SKKADBVQFYQHNN-LJQANCHMSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-3-15-28-26(31)25-23(14-9-16-27-25)22-13-8-7-12-21(22)18-29-24(30)17-19(2)20-10-5-4-6-11-20/h4-14,16,19H,3,15,17-18H2,1-2H3,(H,28,31)(H,29,30)/t19-/m1/s1.
What are the key properties of 3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide?
3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 142144640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).