N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide

C13H21N3O — CID 81404015

IUPACN-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
SMILESCC(C)NC(=O)C(C)N[C@H](C)c1cccnc1
InChIInChI=1S/C13H21N3O/c1-9(2)15-13(17)11(4)16-10(3)12-6-5-7-14-8-12/h5-11,16H,1-4H3,(H,15,17)/t10-,11?/m1/s1
InChIKeyLHSMEORBSHMGGX-NFJWQWPMSA-N
MW235.33 g/mol
LogP1.65
Rot. Bonds5

About N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide

N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide (PubChem CID 81404015) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
PubChem CID81404015
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
SMILESCC(C)NC(=O)C(C)N[C@H](C)c1cccnc1
InChIInChI=1S/C13H21N3O/c1-9(2)15-13(17)11(4)16-10(3)12-6-5-7-14-8-12/h5-11,16H,1-4H3,(H,15,17)/t10-,11?/m1/s1
InChIKeyLHSMEORBSHMGGX-NFJWQWPMSA-N
XLogP1.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404603
N-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404259
N-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404441
2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404462
2-chloro-N-propan-2-yl-2-pyridin-3-ylacetamide
CID 62225327
1-piperidin-1-yl-2-(1-pyridin-3-ylethylamino)propan-1-one
CID 43396360
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
2-bromo-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 43523148

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide?
The IUPAC name of N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide (CID 81404015) is N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide.
What is the SMILES notation for N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide?
The canonical SMILES for N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide is CC(C)NC(=O)C(C)N[C@H](C)c1cccnc1.
What is the InChIKey of N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide?
The InChIKey is LHSMEORBSHMGGX-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)15-13(17)11(4)16-10(3)12-6-5-7-14-8-12/h5-11,16H,1-4H3,(H,15,17)/t10-,11?/m1/s1.
What are the key properties of N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide?
N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide is sourced from PubChem (CID 81404015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).