3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide

C18H22N4O2 — CID 134542197

IUPAC3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide
SMILESNCCC(=O)NCC(=O)NC(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C18H22N4O2/c19-10-9-17(23)21-13-18(24)22-16(14-6-2-1-3-7-14)12-15-8-4-5-11-20-15/h1-8,11,16H,9-10,12-13,19H2,(H,21,23)(H,22,24)
InChIKeyPIBHGZNZZCLGGL-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.95
Rot. Bonds8

About 3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide

3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide (PubChem CID 134542197) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide
PubChem CID134542197
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide
SMILESNCCC(=O)NCC(=O)NC(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C18H22N4O2/c19-10-9-17(23)21-13-18(24)22-16(14-6-2-1-3-7-14)12-15-8-4-5-11-20-15/h1-8,11,16H,9-10,12-13,19H2,(H,21,23)(H,22,24)
InChIKeyPIBHGZNZZCLGGL-UHFFFAOYSA-N
XLogP0.95
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]cyclopropane-1-carboxamide
CID 134541309
(1-phenyl-2-pyridin-2-ylethyl)carbamic acid
CID 134541861
(2S)-2-(methylamino)-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide
CID 134541575
2-amino-N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]acetamide
CID 134541511
N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]propanamide
CID 134543822
N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]benzamide
CID 134542215
2,2,2-trifluoro-N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]acetamide
CID 134541251
[(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea
CID 99792892
1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 134541281
2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide
CID 134542231
N-(1-phenyl-2-pyridin-2-ylethyl)formamide
CID 57000523
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea
CID 129358685

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide (CID 134542197) is 3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide is NCCC(=O)NCC(=O)NC(Cc1ccccn1)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide?
The InChIKey is PIBHGZNZZCLGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c19-10-9-17(23)21-13-18(24)22-16(14-6-2-1-3-7-14)12-15-8-4-5-11-20-15/h1-8,11,16H,9-10,12-13,19H2,(H,21,23)(H,22,24).
What are the key properties of 3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide?
3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide has a molecular weight of 326.40 g/mol, XLogP of 0.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide is sourced from PubChem (CID 134542197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).