N-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide

C13H19N3O2 — CID 113391812

IUPACN-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide
SMILESNc1cccnc1NC(=O)CCC1CCCCO1
InChIInChI=1S/C13H19N3O2/c14-11-5-3-8-15-13(11)16-12(17)7-6-10-4-1-2-9-18-10/h3,5,8,10H,1-2,4,6-7,9,14H2,(H,15,16,17)
InChIKeyWSPNGHPQRZEPNL-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.95
Rot. Bonds4

About N-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide

N-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide (PubChem CID 113391812) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide
PubChem CID113391812
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide
SMILESNc1cccnc1NC(=O)CCC1CCCCO1
InChIInChI=1S/C13H19N3O2/c14-11-5-3-8-15-13(11)16-12(17)7-6-10-4-1-2-9-18-10/h3,5,8,10H,1-2,4,6-7,9,14H2,(H,15,16,17)
InChIKeyWSPNGHPQRZEPNL-UHFFFAOYSA-N
XLogP1.95
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-oxolan-2-yl]-N-pyridin-2-ylpropanamide
CID 51938440
3-amino-4-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 63952709
2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid
CID 65157572
N-(2-amino-5-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 63951699
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
3-amino-4-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 65157363
N-(3-amino-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide
CID 113391859
N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride
CID 120568872
N-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide
CID 103745081
N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxan-2-yl)propanamide
CID 63953505
N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63953371
N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide
CID 114298345

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide (CID 113391812) is N-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide is Nc1cccnc1NC(=O)CCC1CCCCO1.
What is the InChIKey of N-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide?
The InChIKey is WSPNGHPQRZEPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-11-5-3-8-15-13(11)16-12(17)7-6-10-4-1-2-9-18-10/h3,5,8,10H,1-2,4,6-7,9,14H2,(H,15,16,17).
What are the key properties of N-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide?
N-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide has a molecular weight of 249.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 113391812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).