4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide

C13H19N3O — CID 54869888

IUPAC4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
SMILESNCCCC(=O)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C13H19N3O/c14-7-1-4-13(17)16(12-5-6-12)10-11-3-2-8-15-9-11/h2-3,8-9,12H,1,4-7,10,14H2
InChIKeyIXDYHSMYPSGDOL-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.31
Rot. Bonds6

About 4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide

4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 54869888) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID54869888
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
SMILESNCCCC(=O)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C13H19N3O/c14-7-1-4-13(17)16(12-5-6-12)10-11-3-2-8-15-9-11/h2-3,8-9,12H,1,4-7,10,14H2
InChIKeyIXDYHSMYPSGDOL-UHFFFAOYSA-N
XLogP1.31
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-benzyl-N-cyclopropylhexanamide
CID 43579228
N-cyclohexyl-4-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)butanamide
CID 134127956
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 54869938
4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
CID 54870516
2-anilino-N-cyclopropyl-N-(pyridin-3-ylmethyl)acetamide
CID 60937842
2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate
CID 79346079
6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide
CID 60964131
2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 54874663
N-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 79285110
6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 60953865
7-amino-N-benzyl-N-cyclohexylheptanamide
CID 119729560
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide (CID 54869888) is 4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide is NCCCC(=O)N(Cc1cccnc1)C1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is IXDYHSMYPSGDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-7-1-4-13(17)16(12-5-6-12)10-11-3-2-8-15-9-11/h2-3,8-9,12H,1,4-7,10,14H2.
What are the key properties of 4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide?
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 233.31 g/mol, XLogP of 1.31, 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-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 54869888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).