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

C20H27N3O4 — CID 109195799

IUPACN-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(Nc2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C20H27N3O4/c1-5-6-7-10-21-20(24)16-9-8-14(13-22-16)23-15-11-17(25-2)19(27-4)18(12-15)26-3/h8-9,11-13,23H,5-7,10H2,1-4H3,(H,21,24)
InChIKeyFMEJTNJANJEPCW-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.77
Rot. Bonds10

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

N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide (PubChem CID 109195799) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
PubChem CID109195799
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(Nc2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C20H27N3O4/c1-5-6-7-10-21-20(24)16-9-8-14(13-22-16)23-15-11-17(25-2)19(27-4)18(12-15)26-3/h8-9,11-13,23H,5-7,10H2,1-4H3,(H,21,24)
InChIKeyFMEJTNJANJEPCW-UHFFFAOYSA-N
XLogP3.77
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.77
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-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109202633
N-butyl-5-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109180718
N-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109191002
5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide
CID 109195790
5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109195788
5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide
CID 109195775
5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide
CID 109195813
N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109201155
5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184305
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
CID 109179165
5-(2-methylpropylamino)-N-pentylpyridine-2-carboxamide
CID 109181275

Frequently Asked Questions

What is the IUPAC name of N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide (CID 109195799) is N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide is CCCCCNC(=O)c1ccc(Nc2cc(OC)c(OC)c(OC)c2)cn1.
What is the InChIKey of N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
The InChIKey is FMEJTNJANJEPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-5-6-7-10-21-20(24)16-9-8-14(13-22-16)23-15-11-17(25-2)19(27-4)18(12-15)26-3/h8-9,11-13,23H,5-7,10H2,1-4H3,(H,21,24).
What are the key properties of N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109195799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).