N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide

C17H20ClN3O2 — CID 109206310

IUPACN-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
SMILESCOCCCNc1ccnc(C(=O)Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C17H20ClN3O2/c1-12-4-5-13(18)10-15(12)21-17(22)16-11-14(6-8-20-16)19-7-3-9-23-2/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyVKXMYJCZEVEXBC-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.74
Rot. Bonds7

About N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide

N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide (PubChem CID 109206310) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
PubChem CID109206310
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
SMILESCOCCCNc1ccnc(C(=O)Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C17H20ClN3O2/c1-12-4-5-13(18)10-15(12)21-17(22)16-11-14(6-8-20-16)19-7-3-9-23-2/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyVKXMYJCZEVEXBC-UHFFFAOYSA-N
XLogP3.74
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.74
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

N-(5-chloro-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184481
4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082732
N-(2,4-dichlorophenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109206008
N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206385
N-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206327
N-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206249
N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206317
N-(5-chloro-2-methylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201602
4-(3-methoxypropylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109206386
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299710
N-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207368
4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211894

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide (CID 109206310) is N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide is COCCCNc1ccnc(C(=O)Nc2cc(Cl)ccc2C)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide?
The InChIKey is VKXMYJCZEVEXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-12-4-5-13(18)10-15(12)21-17(22)16-11-14(6-8-20-16)19-7-3-9-23-2/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide?
N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109206310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).