4-(4-chloroanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-6-carboxamide

C19H20ClN3O2 — CID 53079613

IUPAC4-(4-chloroanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-6-carboxamide
SMILESCC(C)CCNC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H20ClN3O2/c1-12(2)7-9-21-19(24)16-11-17-15(8-10-25-17)18(23-16)22-14-5-3-13(20)4-6-14/h3-6,8,10-12H,7,9H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyIJGOXUZWCHCQQS-UHFFFAOYSA-N
MW357.84 g/mol
LogP5.00
Rot. Bonds6

About 4-(4-chloroanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-6-carboxamide

4-(4-chloroanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-6-carboxamide (PubChem CID 53079613) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 4-(4-chloroanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-(4-chloroanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-6-carboxamide
PubChem CID53079613
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name4-(4-chloroanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-6-carboxamide
SMILESCC(C)CCNC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H20ClN3O2/c1-12(2)7-9-21-19(24)16-11-17-15(8-10-25-17)18(23-16)22-14-5-3-13(20)4-6-14/h3-6,8,10-12H,7,9H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyIJGOXUZWCHCQQS-UHFFFAOYSA-N
XLogP5.00
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.84
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-methylanilino)-N-(3-ethoxypropyl)furo[3,2-c]pyridine-6-carboxamide
CID 53079738
4-(3-chloro-4-methylanilino)-N-(3-pyrrolidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide
CID 53079750
N-[3-(azepan-1-yl)butyl]-4-(4-bromo-3-methylanilino)furo[3,2-c]pyridine-6-carboxamide
CID 53079843
4-(3-chloro-4-methylanilino)-N-(3-piperidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide
CID 53079749
2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333289
N-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyanilino)furo[3,2-c]pyridine-6-carboxamide
CID 53079850
6-(4-acetylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846653
2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109328971
4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217368
1-(2-chlorophenyl)-N-(3-methylbutyl)isoquinoline-3-carboxamide
CID 59672249
6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846634
2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333217

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloroanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of 4-(4-chloroanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-6-carboxamide (CID 53079613) is 4-(4-chloroanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for 4-(4-chloroanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for 4-(4-chloroanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-6-carboxamide is CC(C)CCNC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-(4-chloroanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-6-carboxamide?
The InChIKey is IJGOXUZWCHCQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-12(2)7-9-21-19(24)16-11-17-15(8-10-25-17)18(23-16)22-14-5-3-13(20)4-6-14/h3-6,8,10-12H,7,9H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-(4-chloroanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-6-carboxamide?
4-(4-chloroanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-6-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloroanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 53079613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).