N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide

C18H24N4O — CID 109165736

IUPACN-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
SMILESCC(C)CNc1cc(C(=O)N(C)CCc2ccncc2)ccn1
InChIInChI=1S/C18H24N4O/c1-14(2)13-21-17-12-16(6-10-20-17)18(23)22(3)11-7-15-4-8-19-9-5-15/h4-6,8-10,12,14H,7,11,13H2,1-3H3,(H,20,21)
InChIKeyICCOLOKKGKSOOX-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.86
Rot. Bonds7

About N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide

N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide (PubChem CID 109165736) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
PubChem CID109165736
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
SMILESCC(C)CNc1cc(C(=O)N(C)CCc2ccncc2)ccn1
InChIInChI=1S/C18H24N4O/c1-14(2)13-21-17-12-16(6-10-20-17)18(23)22(3)11-7-15-4-8-19-9-5-15/h4-6,8-10,12,14H,7,11,13H2,1-3H3,(H,20,21)
InChIKeyICCOLOKKGKSOOX-UHFFFAOYSA-N
XLogP2.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109248668
2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109170941
2-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109166673
2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109173135
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 55046834
2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109173085
4-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262
2-(ethylamino)-N-(3-hydroxybutyl)-N-methylpyridine-4-carboxamide
CID 115704020
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
4-N-methyl-2-N-pentyl-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088220
N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide
CID 110440864
4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087215

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide?
The IUPAC name of N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide (CID 109165736) is N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide is CC(C)CNc1cc(C(=O)N(C)CCc2ccncc2)ccn1.
What is the InChIKey of N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide?
The InChIKey is ICCOLOKKGKSOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14(2)13-21-17-12-16(6-10-20-17)18(23)22(3)11-7-15-4-8-19-9-5-15/h4-6,8-10,12,14H,7,11,13H2,1-3H3,(H,20,21).
What are the key properties of N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide?
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109165736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).