N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide

C16H16N4O — CID 133279511

IUPACN-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide
SMILESN#Cc1cccnc1NCCC(=O)NCc1ccccc1
InChIInChI=1S/C16H16N4O/c17-11-14-7-4-9-18-16(14)19-10-8-15(21)20-12-13-5-2-1-3-6-13/h1-7,9H,8,10,12H2,(H,18,19)(H,20,21)
InChIKeyAUWKCFIGYPRUCF-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.07
Rot. Bonds6

About N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide

N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide (PubChem CID 133279511) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide
PubChem CID133279511
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide
SMILESN#Cc1cccnc1NCCC(=O)NCc1ccccc1
InChIInChI=1S/C16H16N4O/c17-11-14-7-4-9-18-16(14)19-10-8-15(21)20-12-13-5-2-1-3-6-13/h1-7,9H,8,10,12H2,(H,18,19)(H,20,21)
InChIKeyAUWKCFIGYPRUCF-UHFFFAOYSA-N
XLogP2.07
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate
CID 55028439
N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
CID 95144802
1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(3,3-diphenylpropyl)urea
CID 55770075
N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55727986
3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023302
N-(3-cyano-2-pyridinyl)-6-phenylhexanamide
CID 86616590
5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide
CID 55840184
2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile
CID 154733870
3-[(5-cyanoisoquinolin-1-yl)amino]propanoic acid
CID 82570969
N-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide
CID 75501853
N-benzyl-2-[(3-cyanopyrazin-2-yl)amino]acetamide
CID 62671468
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 46443949

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide?
The IUPAC name of N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide (CID 133279511) is N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide.
What is the SMILES notation for N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide?
The canonical SMILES for N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide is N#Cc1cccnc1NCCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide?
The InChIKey is AUWKCFIGYPRUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-11-14-7-4-9-18-16(14)19-10-8-15(21)20-12-13-5-2-1-3-6-13/h1-7,9H,8,10,12H2,(H,18,19)(H,20,21).
What are the key properties of N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide?
N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide has a molecular weight of 280.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 133279511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).