N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-4-pyridin-3-ylbutanamide

C20H25N3O2 — CID 110626074

IUPACN-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-4-pyridin-3-ylbutanamide
SMILESCC(C)NC(=O)C(NC(=O)CCCc1cccnc1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-15(2)22-20(25)19(17-10-4-3-5-11-17)23-18(24)12-6-8-16-9-7-13-21-14-16/h3-5,7,9-11,13-15,19H,6,8,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyBJRIRXYOGBGZSY-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.79
Rot. Bonds8

About N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-4-pyridin-3-ylbutanamide

N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-4-pyridin-3-ylbutanamide (PubChem CID 110626074) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-4-pyridin-3-ylbutanamide
PubChem CID110626074
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-4-pyridin-3-ylbutanamide
SMILESCC(C)NC(=O)C(NC(=O)CCCc1cccnc1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-15(2)22-20(25)19(17-10-4-3-5-11-17)23-18(24)12-6-8-16-9-7-13-21-14-16/h3-5,7,9-11,13-15,19H,6,8,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyBJRIRXYOGBGZSY-UHFFFAOYSA-N
XLogP2.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide
CID 110626227
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
(2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid
CID 119367976
4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 7346867
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide
CID 18396525
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110614904
(4R)-6-(4-phenoxyphenyl)-4-(7-pyridin-3-ylheptanoylamino)hexanoic acid
CID 69413790
5-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]pentanamide
CID 94661779
7-methyl-1-pyridin-3-yloctan-4-one
CID 70095682

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-4-pyridin-3-ylbutanamide (CID 110626074) is N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-4-pyridin-3-ylbutanamide is CC(C)NC(=O)C(NC(=O)CCCc1cccnc1)c1ccccc1.
What is the InChIKey of N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-4-pyridin-3-ylbutanamide?
The InChIKey is BJRIRXYOGBGZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(2)22-20(25)19(17-10-4-3-5-11-17)23-18(24)12-6-8-16-9-7-13-21-14-16/h3-5,7,9-11,13-15,19H,6,8,12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-4-pyridin-3-ylbutanamide?
N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-4-pyridin-3-ylbutanamide has a molecular weight of 339.44 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110626074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).