6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide

C12H18ClN3O — CID 62154764

IUPAC6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide
SMILESCCC(C)N(CC)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C12H18ClN3O/c1-4-8(3)16(5-2)12(17)11-9(13)6-7-10(14)15-11/h6-8H,4-5H2,1-3H3,(H2,14,15)
InChIKeyWRTMHWJWTDHZJT-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.58
Rot. Bonds4

About 6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide

6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide (PubChem CID 62154764) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide
PubChem CID62154764
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide
SMILESCCC(C)N(CC)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C12H18ClN3O/c1-4-8(3)16(5-2)12(17)11-9(13)6-7-10(14)15-11/h6-8H,4-5H2,1-3H3,(H2,14,15)
InChIKeyWRTMHWJWTDHZJT-UHFFFAOYSA-N
XLogP2.58
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide?
The IUPAC name of 6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide (CID 62154764) is 6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide is CCC(C)N(CC)C(=O)c1nc(N)ccc1Cl.
What is the InChIKey of 6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide?
The InChIKey is WRTMHWJWTDHZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-4-8(3)16(5-2)12(17)11-9(13)6-7-10(14)15-11/h6-8H,4-5H2,1-3H3,(H2,14,15).
What are the key properties of 6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide?
6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 62154764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).