4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide

C18H21N3O4 — CID 109202049

IUPAC4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(NC3CC3)ccn2)cc(OC)c1OC
InChIInChI=1S/C18H21N3O4/c1-23-15-9-13(10-16(24-2)17(15)25-3)21-18(22)14-8-12(6-7-19-14)20-11-4-5-11/h6-11H,4-5H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyXPIOZGFVJDFWDU-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.93
Rot. Bonds7

About 4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide

4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109202049) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
PubChem CID109202049
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(NC3CC3)ccn2)cc(OC)c1OC
InChIInChI=1S/C18H21N3O4/c1-23-15-9-13(10-16(24-2)17(15)25-3)21-18(22)14-8-12(6-7-19-14)20-11-4-5-11/h6-11H,4-5H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyXPIOZGFVJDFWDU-UHFFFAOYSA-N
XLogP2.93
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
CID 109205055
N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109202020
N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109219259
4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109222452
4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109201983
methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate
CID 79110249
N-(3-fluorophenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109222426
N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide
CID 109217159
N-(3-acetylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109204307
4-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 109201977
4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109202033
4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109214961

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide (CID 109202049) is 4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide is COc1cc(NC(=O)c2cc(NC3CC3)ccn2)cc(OC)c1OC.
What is the InChIKey of 4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is XPIOZGFVJDFWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-23-15-9-13(10-16(24-2)17(15)25-3)21-18(22)14-8-12(6-7-19-14)20-11-4-5-11/h6-11H,4-5H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide?
4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109202049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).