N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide

C16H26ClN3O — CID 114922104

IUPACN,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(NCC)ncc1Cl
InChIInChI=1S/C16H26ClN3O/c1-4-7-9-20(10-8-5-2)16(21)13-11-15(18-6-3)19-12-14(13)17/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyIXYCIWVQFJZSAL-UHFFFAOYSA-N
MW311.86 g/mol
LogP4.21
Rot. Bonds9

About N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide

N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide (PubChem CID 114922104) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide
PubChem CID114922104
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC NameN,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(NCC)ncc1Cl
InChIInChI=1S/C16H26ClN3O/c1-4-7-9-20(10-8-5-2)16(21)13-11-15(18-6-3)19-12-14(13)17/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyIXYCIWVQFJZSAL-UHFFFAOYSA-N
XLogP4.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide 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

5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide
CID 114923600
5-chloro-2-(ethylamino)-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 114922169
5-chloro-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)pyridine-4-carboxamide
CID 114922728
5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 114921827
5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 114922484
N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114923111
5-chloro-N-cyclopentyl-2-(ethylamino)-N-methylpyridine-4-carboxamide
CID 114922154
5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 114922724
5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide
CID 114922691
5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide
CID 114923597
N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide
CID 81224997
N,N-dibutyl-6-(ethylamino)pyridazine-3-carboxamide
CID 62167195

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide (CID 114922104) is N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide is CCCCN(CCCC)C(=O)c1cc(NCC)ncc1Cl.
What is the InChIKey of N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide?
The InChIKey is IXYCIWVQFJZSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-4-7-9-20(10-8-5-2)16(21)13-11-15(18-6-3)19-12-14(13)17/h11-12H,4-10H2,1-3H3,(H,18,19).
What are the key properties of N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide?
N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide has a molecular weight of 311.86 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114922104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).