N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide

C17H21N3O4 — CID 113036500

IUPACN-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C17H21N3O4/c1-5-16(21)20-15-7-6-11(10-18-15)19-12-8-13(22-2)17(24-4)14(9-12)23-3/h6-10,19H,5H2,1-4H3,(H,18,20,21)
InChIKeyBBLXWZVSQSCTQJ-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.20
Rot. Bonds7

About N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide

N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide (PubChem CID 113036500) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide
PubChem CID113036500
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C17H21N3O4/c1-5-16(21)20-15-7-6-11(10-18-15)19-12-8-13(22-2)17(24-4)14(9-12)23-3/h6-10,19H,5H2,1-4H3,(H,18,20,21)
InChIKeyBBLXWZVSQSCTQJ-UHFFFAOYSA-N
XLogP3.20
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,4,5-trimethoxyanilino)phenyl]propanamide
CID 112989467
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113036526
3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide
CID 113036517
N-[5-(4-methylanilino)-2-pyridinyl]propanamide
CID 113031521
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide
CID 113020075
N-[6-(4-methoxyanilino)-3-pyridinyl]propanamide
CID 113019477
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113034745
N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109195799
N-[6-(3-methoxyanilino)-3-pyridinyl]propanamide
CID 113019375
N-[5-(propylamino)-2-pyridinyl]propanamide
CID 113023412
methyl N-[4-(3,4,5-trimethoxyanilino)phenyl]carbamate
CID 112989491
N-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide
CID 113036750

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide?
The IUPAC name of N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide (CID 113036500) is N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide is CCC(=O)Nc1ccc(Nc2cc(OC)c(OC)c(OC)c2)cn1.
What is the InChIKey of N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide?
The InChIKey is BBLXWZVSQSCTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-5-16(21)20-15-7-6-11(10-18-15)19-12-8-13(22-2)17(24-4)14(9-12)23-3/h6-10,19H,5H2,1-4H3,(H,18,20,21).
What are the key properties of N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide?
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide has a molecular weight of 331.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]propanamide is sourced from PubChem (CID 113036500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).