N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide

C11H17N3O — CID 81404603

IUPACN-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide
SMILESCNC(=O)C(C)N[C@@H](C)c1cccnc1
InChIInChI=1S/C11H17N3O/c1-8(10-5-4-6-13-7-10)14-9(2)11(15)12-3/h4-9,14H,1-3H3,(H,12,15)/t8-,9?/m0/s1
InChIKeyDNZUZJHWQDLRQQ-IENPIDJESA-N
MW207.28 g/mol
LogP0.87
Rot. Bonds4

About N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide

N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide (PubChem CID 81404603) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide
PubChem CID81404603
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide
SMILESCNC(=O)C(C)N[C@@H](C)c1cccnc1
InChIInChI=1S/C11H17N3O/c1-8(10-5-4-6-13-7-10)14-9(2)11(15)12-3/h4-9,14H,1-3H3,(H,12,15)/t8-,9?/m0/s1
InChIKeyDNZUZJHWQDLRQQ-IENPIDJESA-N
XLogP0.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404015
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
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404462
N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 43683661
[4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea
CID 81392080
1-piperidin-1-yl-2-(1-pyridin-3-ylethylamino)propan-1-one
CID 43396360
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
N-methyl-4-[[(1S)-1-pyridin-3-ylethyl]amino]butanamide
CID 81405194

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide?
The IUPAC name of N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide (CID 81404603) is N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide.
What is the SMILES notation for N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide?
The canonical SMILES for N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide is CNC(=O)C(C)N[C@@H](C)c1cccnc1.
What is the InChIKey of N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide?
The InChIKey is DNZUZJHWQDLRQQ-IENPIDJESA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(10-5-4-6-13-7-10)14-9(2)11(15)12-3/h4-9,14H,1-3H3,(H,12,15)/t8-,9?/m0/s1.
What are the key properties of N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide?
N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide has a molecular weight of 207.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide is sourced from PubChem (CID 81404603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).