2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide

C16H23N3O2 — CID 62991409

IUPAC2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCc1ccnc(OC)c1
InChIInChI=1S/C16H23N3O2/c1-4-7-16(12-17,8-5-2)15(20)19-11-13-6-9-18-14(10-13)21-3/h6,9-10H,4-5,7-8,11H2,1-3H3,(H,19,20)
InChIKeyVPVQKBFMYBFFQS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.82
Rot. Bonds8

About 2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide

2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide (PubChem CID 62991409) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide
PubChem CID62991409
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCc1ccnc(OC)c1
InChIInChI=1S/C16H23N3O2/c1-4-7-16(12-17,8-5-2)15(20)19-11-13-6-9-18-14(10-13)21-3/h6,9-10H,4-5,7-8,11H2,1-3H3,(H,19,20)
InChIKeyVPVQKBFMYBFFQS-UHFFFAOYSA-N
XLogP2.82
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
CID 62995403
2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 62997542
(2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 107569644
4-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62991671
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 55142287
(E)-4-[(2-methoxy-4-pyridinyl)methylamino]-4-oxobut-2-enoic acid
CID 55141133
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 62994356
2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide
CID 55140170

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide?
The IUPAC name of 2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide (CID 62991409) is 2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)NCc1ccnc(OC)c1.
What is the InChIKey of 2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide?
The InChIKey is VPVQKBFMYBFFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-7-16(12-17,8-5-2)15(20)19-11-13-6-9-18-14(10-13)21-3/h6,9-10H,4-5,7-8,11H2,1-3H3,(H,19,20).
What are the key properties of 2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide?
2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide has a molecular weight of 289.38 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide is sourced from PubChem (CID 62991409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).