5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide

C18H23ClN4O — CID 109186013

IUPAC5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCCCN(C)C)nc2)cc1Cl
InChIInChI=1S/C18H23ClN4O/c1-13-5-6-14(11-16(13)19)22-15-7-8-17(21-12-15)18(24)20-9-4-10-23(2)3/h5-8,11-12,22H,4,9-10H2,1-3H3,(H,20,24)
InChIKeyIRQRZTWOTRJBNO-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.47
Rot. Bonds7

About 5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide

5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (PubChem CID 109186013) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
PubChem CID109186013
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCCCN(C)C)nc2)cc1Cl
InChIInChI=1S/C18H23ClN4O/c1-13-5-6-14(11-16(13)19)22-15-7-8-17(21-12-15)18(24)20-9-4-10-23(2)3/h5-8,11-12,22H,4,9-10H2,1-3H3,(H,20,24)
InChIKeyIRQRZTWOTRJBNO-UHFFFAOYSA-N
XLogP3.47
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.47
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

5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183935
N-butyl-5-(3-chloro-4-methylanilino)-N-methylpyridine-2-carboxamide
CID 109195962
5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186081
5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184305
N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109277809
5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185426
N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 7585404
N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide
CID 109185392
5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192640
5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 109199474
N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109186180
5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186076

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (CID 109186013) is 5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide is Cc1ccc(Nc2ccc(C(=O)NCCCN(C)C)nc2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The InChIKey is IRQRZTWOTRJBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-13-5-6-14(11-16(13)19)22-15-7-8-17(21-12-15)18(24)20-9-4-10-23(2)3/h5-8,11-12,22H,4,9-10H2,1-3H3,(H,20,24).
What are the key properties of 5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 109186013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).