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

C14H21N3O2 — CID 62474295

IUPAC2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide
SMILESCOCCC(N)C(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C14H21N3O2/c1-19-9-7-13(15)14(18)17(12-5-6-12)10-11-4-2-3-8-16-11/h2-4,8,12-13H,5-7,9-10,15H2,1H3
InChIKeyKKXLSJQYCVJEBC-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.94
Rot. Bonds7

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

2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 62474295) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide
PubChem CID62474295
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide
SMILESCOCCC(N)C(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C14H21N3O2/c1-19-9-7-13(15)14(18)17(12-5-6-12)10-11-4-2-3-8-16-11/h2-4,8,12-13H,5-7,9-10,15H2,1H3
InChIKeyKKXLSJQYCVJEBC-UHFFFAOYSA-N
XLogP0.94
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)pentanamide
CID 61165416
2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 54869781
2-amino-N-cyclopropyl-3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide
CID 76895282
4-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 80543102
3-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 62670174
2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 107904243
N-cyclopropyl-2-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)acetamide
CID 79281792
ethyl N-cyclopropyl-N-(pyridin-2-ylmethyl)carbamate
CID 60665020
(2S)-2-amino-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)hexanamide
CID 103950562
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
N-cyclopropyl-2-(4-phenylphenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 55607567
2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 62473760

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide (CID 62474295) is 2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide is COCCC(N)C(=O)N(Cc1ccccn1)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is KKXLSJQYCVJEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-9-7-13(15)14(18)17(12-5-6-12)10-11-4-2-3-8-16-11/h2-4,8,12-13H,5-7,9-10,15H2,1H3.
What are the key properties of 2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide?
2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 263.34 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 62474295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).