N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide

C18H23N3O4 — CID 109201155

IUPACN-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
SMILESCCCNC(=O)c1cc(Nc2cc(OC)c(OC)c(OC)c2)ccn1
InChIInChI=1S/C18H23N3O4/c1-5-7-20-18(22)14-9-12(6-8-19-14)21-13-10-15(23-2)17(25-4)16(11-13)24-3/h6,8-11H,5,7H2,1-4H3,(H,19,21)(H,20,22)
InChIKeySLRTZSHPYCPQPT-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.99
Rot. Bonds8

About N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide

N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide (PubChem CID 109201155) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
PubChem CID109201155
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
SMILESCCCNC(=O)c1cc(Nc2cc(OC)c(OC)c(OC)c2)ccn1
InChIInChI=1S/C18H23N3O4/c1-5-7-20-18(22)14-9-12(6-8-19-14)21-13-10-15(23-2)17(25-4)16(11-13)24-3/h6,8-11H,5,7H2,1-4H3,(H,19,21)(H,20,22)
InChIKeySLRTZSHPYCPQPT-UHFFFAOYSA-N
XLogP2.99
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109202633
4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid
CID 146673906
N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109219259
N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109195799
N-(3-fluorophenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109222426
4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205769
N-propyl-2-(3,4,5-trimethoxyanilino)-1,3-thiazole-5-carboxamide
CID 117092377
4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109222452
N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109202644
4-(2-ethylanilino)-N-propylpyridine-2-carboxamide
CID 109201085
4-(2,4-dichloroanilino)-N-propylpyridine-2-carboxamide
CID 109201162
4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218350

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide (CID 109201155) is N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide is CCCNC(=O)c1cc(Nc2cc(OC)c(OC)c(OC)c2)ccn1.
What is the InChIKey of N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
The InChIKey is SLRTZSHPYCPQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-5-7-20-18(22)14-9-12(6-8-19-14)21-13-10-15(23-2)17(25-4)16(11-13)24-3/h6,8-11H,5,7H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109201155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).