N-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide

C18H23N3O4 — CID 109206327

IUPACN-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
SMILESCOCCCNc1ccnc(C(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H23N3O4/c1-23-10-4-8-19-13-7-9-20-16(11-13)18(22)21-15-12-14(24-2)5-6-17(15)25-3/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyKZFLFVMQAPJSSM-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.80
Rot. Bonds9

About N-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide

N-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide (PubChem CID 109206327) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
PubChem CID109206327
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
SMILESCOCCCNc1ccnc(C(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H23N3O4/c1-23-10-4-8-19-13-7-9-20-16(11-13)18(22)21-15-12-14(24-2)5-6-17(15)25-3/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyKZFLFVMQAPJSSM-UHFFFAOYSA-N
XLogP2.80
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205966
N-(2,5-dimethoxyphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343225
N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206310
N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228308
4-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 109221968
N-(2,5-dimethoxyphenyl)-4-(2-ethylanilino)pyridine-2-carboxamide
CID 109220169
N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212313
N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206317
4-(3-methoxypropylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109206386
N-(2,5-dimethoxyphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179374
N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206385
N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109216800

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide (CID 109206327) is N-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide is COCCCNc1ccnc(C(=O)Nc2cc(OC)ccc2OC)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide?
The InChIKey is KZFLFVMQAPJSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-23-10-4-8-19-13-7-9-20-16(11-13)18(22)21-15-12-14(24-2)5-6-17(15)25-3/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide?
N-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109206327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).