N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide

C18H24N4O — CID 109154437

IUPACN-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCCCN(C)C)cn2)cc1
InChIInChI=1S/C18H24N4O/c1-14-5-8-16(9-6-14)21-17-10-7-15(13-20-17)18(23)19-11-4-12-22(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyMCADDJOMUNHGFD-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.82
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide

N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide (PubChem CID 109154437) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide
PubChem CID109154437
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCCCN(C)C)cn2)cc1
InChIInChI=1S/C18H24N4O/c1-14-5-8-16(9-6-14)21-17-10-7-15(13-20-17)18(23)19-11-4-12-22(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyMCADDJOMUNHGFD-UHFFFAOYSA-N
XLogP2.82
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-acetylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154486
6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154528
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154509
6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160841
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153921
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109344922
6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1441265
N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide
CID 109154445
N-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109277174
6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154506
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide (CID 109154437) is N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide is Cc1ccc(Nc2ccc(C(=O)NCCCN(C)C)cn2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide?
The InChIKey is MCADDJOMUNHGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-5-8-16(9-6-14)21-17-10-7-15(13-20-17)18(23)19-11-4-12-22(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide?
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109154437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).