N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide

C18H24N4O — CID 109224385

IUPACN-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(N(C)CCc2ccncc2)c1
InChIInChI=1S/C18H24N4O/c1-3-4-8-21-18(23)16-12-17(14-20-13-16)22(2)11-7-15-5-9-19-10-6-15/h5-6,9-10,12-14H,3-4,7-8,11H2,1-2H3,(H,21,23)
InChIKeyVWZNIMPFYOGUAU-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.69
Rot. Bonds8

About N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide

N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide (PubChem CID 109224385) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
PubChem CID109224385
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(N(C)CCc2ccncc2)c1
InChIInChI=1S/C18H24N4O/c1-3-4-8-21-18(23)16-12-17(14-20-13-16)22(2)11-7-15-5-9-19-10-6-15/h5-6,9-10,12-14H,3-4,7-8,11H2,1-2H3,(H,21,23)
InChIKeyVWZNIMPFYOGUAU-UHFFFAOYSA-N
XLogP2.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide
CID 109237075
N-(2-methylpropyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109224772
N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109232504
5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101177
N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109236583
5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236852
3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104288
N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237072
N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237137
N-(2-ethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237095
N-(4-fluorophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237107
N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237130

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide (CID 109224385) is N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide is CCCCNC(=O)c1cncc(N(C)CCc2ccncc2)c1.
What is the InChIKey of N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The InChIKey is VWZNIMPFYOGUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-4-8-21-18(23)16-12-17(14-20-13-16)22(2)11-7-15-5-9-19-10-6-15/h5-6,9-10,12-14H,3-4,7-8,11H2,1-2H3,(H,21,23).
What are the key properties of N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 109224385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).