N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide

C15H18N4O — CID 106937266

IUPACN-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(C)c1ccncc1
InChIInChI=1S/C15H18N4O/c1-3-7-18-14-11-17-10-6-13(14)15(20)19(2)12-4-8-16-9-5-12/h4-6,8-11,18H,3,7H2,1-2H3
InChIKeyXTVYDNCQTWIAGY-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.58
Rot. Bonds5

About N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide

N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide (PubChem CID 106937266) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
PubChem CID106937266
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(C)c1ccncc1
InChIInChI=1S/C15H18N4O/c1-3-7-18-14-11-17-10-6-13(14)15(20)19(2)12-4-8-16-9-5-12/h4-6,8-11,18H,3,7H2,1-2H3
InChIKeyXTVYDNCQTWIAGY-UHFFFAOYSA-N
XLogP2.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937503
N-methyl-N-(3-methylphenyl)-3-(propylamino)pyridine-4-carboxamide
CID 105069128
3-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 105069144
N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071339
N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide
CID 105068541
N-(cyclopropylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068880
N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068056
N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 107201068
N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071302
N-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347
N-(cyclopentylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105070142
N-(3-methoxypropyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105069961

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide (CID 106937266) is N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide is CCCNc1cnccc1C(=O)N(C)c1ccncc1.
What is the InChIKey of N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide?
The InChIKey is XTVYDNCQTWIAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-7-18-14-11-17-10-6-13(14)15(20)19(2)12-4-8-16-9-5-12/h4-6,8-11,18H,3,7H2,1-2H3.
What are the key properties of N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide?
N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 106937266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).