N-[2-(cyclopropylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide

C19H21N3O2 — CID 110625050

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide
SMILESO=C(CNC(=O)C(Cc1ccncc1)c1ccccc1)NC1CC1
InChIInChI=1S/C19H21N3O2/c23-18(22-16-6-7-16)13-21-19(24)17(15-4-2-1-3-5-15)12-14-8-10-20-11-9-14/h1-5,8-11,16-17H,6-7,12-13H2,(H,21,24)(H,22,23)
InChIKeyBQTDVUCWAVHAON-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.80
Rot. Bonds7

About N-[2-(cyclopropylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide

N-[2-(cyclopropylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide (PubChem CID 110625050) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide
PubChem CID110625050
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide
SMILESO=C(CNC(=O)C(Cc1ccncc1)c1ccccc1)NC1CC1
InChIInChI=1S/C19H21N3O2/c23-18(22-16-6-7-16)13-21-19(24)17(15-4-2-1-3-5-15)12-14-8-10-20-11-9-14/h1-5,8-11,16-17H,6-7,12-13H2,(H,21,24)(H,22,23)
InChIKeyBQTDVUCWAVHAON-UHFFFAOYSA-N
XLogP1.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 55030074
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide
CID 110625276
N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide
CID 110407872
2-phenyl-3-pyridin-4-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410530
N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide
CID 1250894
1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
CID 110407270
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenyl-3-pyridin-4-ylpropanamide
CID 110620139
(2R)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-2-methyl-3-phenylpropanamide
CID 94934408
N-(4-hydroxycyclohexyl)-2-pyridin-4-ylacetamide
CID 43508886
N-cyclopentyl-2-phenyl-3-pyridin-2-ylpropanamide
CID 110407019
(2S)-2-benzyl-3-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]butanamide
CID 97215411
1-cyclopropyl-3-(2,3-diphenylpropyl)urea
CID 110307425

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide (CID 110625050) is N-[2-(cyclopropylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide is O=C(CNC(=O)C(Cc1ccncc1)c1ccccc1)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide?
The InChIKey is BQTDVUCWAVHAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(22-16-6-7-16)13-21-19(24)17(15-4-2-1-3-5-15)12-14-8-10-20-11-9-14/h1-5,8-11,16-17H,6-7,12-13H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide has a molecular weight of 323.40 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 110625050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).