4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide

C14H21N3O — CID 80543102

IUPAC4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide
SMILESCC(CCN)C(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C14H21N3O/c1-11(7-8-15)14(18)17(13-5-6-13)10-12-4-2-3-9-16-12/h2-4,9,11,13H,5-8,10,15H2,1H3
InChIKeyHEPVRGKFFSCYGS-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.56
Rot. Bonds6

About 4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide

4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 80543102) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide
PubChem CID80543102
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide
SMILESCC(CCN)C(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C14H21N3O/c1-11(7-8-15)14(18)17(13-5-6-13)10-12-4-2-3-9-16-12/h2-4,9,11,13H,5-8,10,15H2,1H3
InChIKeyHEPVRGKFFSCYGS-UHFFFAOYSA-N
XLogP1.56
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 62670174
2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 54869781
2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 107904243
(2S)-2-amino-N-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)pentanamide
CID 61165416
2-amino-N-cyclopropyl-3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide
CID 76895282
2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide
CID 62474295
N-cyclopropyl-2-(4-phenylphenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 55607567
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 80543130
ethyl N-cyclopropyl-N-(pyridin-2-ylmethyl)carbamate
CID 60665020
cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 94822499
2-amino-N-[2-[cyclopropyl(pyridin-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54869689

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide (CID 80543102) is 4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide is CC(CCN)C(=O)N(Cc1ccccn1)C1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is HEPVRGKFFSCYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(7-8-15)14(18)17(13-5-6-13)10-12-4-2-3-9-16-12/h2-4,9,11,13H,5-8,10,15H2,1H3.
What are the key properties of 4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide?
4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 247.34 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 80543102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).