N-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide

C18H24N4O — CID 109207788

IUPACN-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(N(C)c2ccccc2)ccn1
InChIInChI=1S/C18H24N4O/c1-21(2)13-7-11-20-18(23)17-14-16(10-12-19-17)22(3)15-8-5-4-6-9-15/h4-6,8-10,12,14H,7,11,13H2,1-3H3,(H,20,23)
InChIKeyWKJYLLQXJFKWBQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.53
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide

N-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide (PubChem CID 109207788) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide
PubChem CID109207788
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(N(C)c2ccccc2)ccn1
InChIInChI=1S/C18H24N4O/c1-21(2)13-7-11-20-18(23)17-14-16(10-12-19-17)22(3)15-8-5-4-6-9-15/h4-6,8-10,12,14H,7,11,13H2,1-3H3,(H,20,23)
InChIKeyWKJYLLQXJFKWBQ-UHFFFAOYSA-N
XLogP2.53
TPSA48.47 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 ≤ 52.53
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

4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202165
N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109301923
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
2-N-[3-(dimethylamino)propyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109084012
N-(2-methoxyphenyl)-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219451
4-N-[3-(dimethylamino)propyl]-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078222
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109217497
N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219474
2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109084078

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide (CID 109207788) is N-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide is CN(C)CCCNC(=O)c1cc(N(C)c2ccccc2)ccn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide?
The InChIKey is WKJYLLQXJFKWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21(2)13-7-11-20-18(23)17-14-16(10-12-19-17)22(3)15-8-5-4-6-9-15/h4-6,8-10,12,14H,7,11,13H2,1-3H3,(H,20,23).
What are the key properties of N-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide?
N-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109207788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).