2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide

C12H19N3O — CID 81405062

IUPAC2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide
SMILESCCC(CN)C(=O)N[C@H](C)c1cccnc1
InChIInChI=1S/C12H19N3O/c1-3-10(7-13)12(16)15-9(2)11-5-4-6-14-8-11/h4-6,8-10H,3,7,13H2,1-2H3,(H,15,16)/t9-,10?/m1/s1
InChIKeyJRPGTQFNPZWJMV-YHMJZVADSA-N
MW221.30 g/mol
LogP1.24
Rot. Bonds5

About 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide

2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide (PubChem CID 81405062) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide
PubChem CID81405062
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide
SMILESCCC(CN)C(=O)N[C@H](C)c1cccnc1
InChIInChI=1S/C12H19N3O/c1-3-10(7-13)12(16)15-9(2)11-5-4-6-14-8-11/h4-6,8-10H,3,7,13H2,1-2H3,(H,15,16)/t9-,10?/m1/s1
InChIKeyJRPGTQFNPZWJMV-YHMJZVADSA-N
XLogP1.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide
CID 81405246
2-amino-N-(1-pyridin-3-ylethyl)pentanamide
CID 43650302
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185
3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404636
4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81404984
(2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 103831911
(2R)-2-amino-N-[(1S)-1-pyridin-3-ylethyl]hexanamide
CID 93339984
(2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide
CID 93341134
N-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404259
2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404462
(2R)-2-amino-3,3-dimethyl-N-(1-pyridin-3-ylethyl)butanamide
CID 103928477
2-bromo-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 43523148

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide (CID 81405062) is 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide is CCC(CN)C(=O)N[C@H](C)c1cccnc1.
What is the InChIKey of 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide?
The InChIKey is JRPGTQFNPZWJMV-YHMJZVADSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-10(7-13)12(16)15-9(2)11-5-4-6-14-8-11/h4-6,8-10H,3,7,13H2,1-2H3,(H,15,16)/t9-,10?/m1/s1.
What are the key properties of 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide?
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide has a molecular weight of 221.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide is sourced from PubChem (CID 81405062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).