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

C13H19N3O — CID 93368626

IUPAC(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
SMILESC[C@@H](N)CC(=O)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C13H19N3O/c1-10(14)8-13(17)16(12-2-3-12)9-11-4-6-15-7-5-11/h4-7,10,12H,2-3,8-9,14H2,1H3/t10-/m1/s1
InChIKeyVUOVUNGGCHYOAI-SNVBAGLBSA-N
MW233.31 g/mol
LogP1.31
Rot. Bonds5

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

(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 93368626) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
PubChem CID93368626
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
SMILESC[C@@H](N)CC(=O)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C13H19N3O/c1-10(14)8-13(17)16(12-2-3-12)9-11-4-6-15-7-5-11/h4-7,10,12H,2-3,8-9,14H2,1H3/t10-/m1/s1
InChIKeyVUOVUNGGCHYOAI-SNVBAGLBSA-N
XLogP1.31
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869747
3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
6-[cyclopropyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 60953865
2-(1-aminocyclopentyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide
CID 64685662
(4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide
CID 124754969
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869783
2-[2-[cyclopropyl(pyridin-4-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61327867
N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276
2-(1-aminoethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66388889
2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide
CID 167754693
4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 120559362

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of (3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide (CID 93368626) is (3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for (3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for (3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide is C[C@@H](N)CC(=O)N(Cc1ccncc1)C1CC1.
What is the InChIKey of (3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is VUOVUNGGCHYOAI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(14)8-13(17)16(12-2-3-12)9-11-4-6-15-7-5-11/h4-7,10,12H,2-3,8-9,14H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide?
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 233.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 93368626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).