4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide

C12H19N3O — CID 81404984

IUPAC4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
SMILESCC(CN)CC(=O)N[C@H](C)c1cccnc1
InChIInChI=1S/C12H19N3O/c1-9(7-13)6-12(16)15-10(2)11-4-3-5-14-8-11/h3-5,8-10H,6-7,13H2,1-2H3,(H,15,16)/t9?,10-/m1/s1
InChIKeyXJKKYHVFZPVRGJ-QVDQXJPCSA-N
MW221.30 g/mol
LogP1.24
Rot. Bonds5

About 4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide

4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide (PubChem CID 81404984) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
PubChem CID81404984
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
SMILESCC(CN)CC(=O)N[C@H](C)c1cccnc1
InChIInChI=1S/C12H19N3O/c1-9(7-13)6-12(16)15-10(2)11-4-3-5-14-8-11/h3-5,8-10H,6-7,13H2,1-2H3,(H,15,16)/t9?,10-/m1/s1
InChIKeyXJKKYHVFZPVRGJ-QVDQXJPCSA-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

4-amino-3-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 114227526
4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 70328531
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747
7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride
CID 119998836
4-amino-3-methyl-N-pyridin-3-ylbutanamide
CID 81070233
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81405062
2-cyano-N-(1-pyridin-3-ylethyl)acetamide
CID 43523765
2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163057
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404467
2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide
CID 60854286
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide?
The IUPAC name of 4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide (CID 81404984) is 4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide?
The canonical SMILES for 4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide is CC(CN)CC(=O)N[C@H](C)c1cccnc1.
What is the InChIKey of 4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide?
The InChIKey is XJKKYHVFZPVRGJ-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(7-13)6-12(16)15-10(2)11-4-3-5-14-8-11/h3-5,8-10H,6-7,13H2,1-2H3,(H,15,16)/t9?,10-/m1/s1.
What are the key properties of 4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide?
4-amino-3-methyl-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 4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide is sourced from PubChem (CID 81404984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).