N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide

C17H20N4O2 — CID 146220042

IUPACN-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide
SMILESC[C@H](N)C(=O)N[C@H](CNC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C17H20N4O2/c1-12(18)16(22)21-15(13-6-3-2-4-7-13)11-20-17(23)14-8-5-9-19-10-14/h2-10,12,15H,11,18H2,1H3,(H,20,23)(H,21,22)/t12-,15+/m0/s1
InChIKeyUODBORXHUKHTGZ-SWLSCSKDSA-N
MW312.37 g/mol
LogP1.02
Rot. Bonds6

About N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide

N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide (PubChem CID 146220042) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide
PubChem CID146220042
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide
SMILESC[C@H](N)C(=O)N[C@H](CNC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C17H20N4O2/c1-12(18)16(22)21-15(13-6-3-2-4-7-13)11-20-17(23)14-8-5-9-19-10-14/h2-10,12,15H,11,18H2,1H3,(H,20,23)(H,21,22)/t12-,15+/m0/s1
InChIKeyUODBORXHUKHTGZ-SWLSCSKDSA-N
XLogP1.02
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(2-aminopropanoylamino)-2-phenylethyl] pyridine-3-carboxylate
CID 146220095
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride
CID 119526338
N-(2-bromo-1-phenylethyl)pyridine-3-carboxamide
CID 113274720
N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide
CID 96538610
N-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-2-phenylethyl]-2,3-dimethyl-2-propan-2-ylbutanamide
CID 146220012
3-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 61159315
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
N-(2-phenyl-2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 110362884
phenyl (2S,3R)-3-hydroxy-2-[(pyridine-3-carbonylamino)methyl]butanoate
CID 164711213

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide (CID 146220042) is N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide is C[C@H](N)C(=O)N[C@H](CNC(=O)c1cccnc1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide?
The InChIKey is UODBORXHUKHTGZ-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12(18)16(22)21-15(13-6-3-2-4-7-13)11-20-17(23)14-8-5-9-19-10-14/h2-10,12,15H,11,18H2,1H3,(H,20,23)(H,21,22)/t12-,15+/m0/s1.
What are the key properties of N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide?
N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 146220042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).