N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide

C17H14ClN3O2 — CID 113012273

IUPACN-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NCc2ccc(Cl)cc2)nc1)c1ccco1
InChIInChI=1S/C17H14ClN3O2/c18-13-5-3-12(4-6-13)10-19-16-8-7-14(11-20-16)21-17(22)15-2-1-9-23-15/h1-9,11H,10H2,(H,19,20)(H,21,22)
InChIKeyWBTGBARPYFBYKT-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.19
Rot. Bonds5

About N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide

N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide (PubChem CID 113012273) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide
PubChem CID113012273
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NCc2ccc(Cl)cc2)nc1)c1ccco1
InChIInChI=1S/C17H14ClN3O2/c18-13-5-3-12(4-6-13)10-19-16-8-7-14(11-20-16)21-17(22)15-2-1-9-23-15/h1-9,11H,10H2,(H,19,20)(H,21,22)
InChIKeyWBTGBARPYFBYKT-UHFFFAOYSA-N
XLogP4.19
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012299
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide
CID 113012292
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide
CID 113012276
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]furan-2-carboxamide
CID 113027750
N-(6-chloro-3-pyridinyl)furan-2-carboxamide
CID 54787856
N-[6-(5-hydroxypentylamino)-3-pyridinyl]furan-2-carboxamide
CID 28901222
methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012316
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3-fluorobenzamide
CID 113012280
4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide
CID 113012926
N-[5-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]furan-2-carboxamide
CID 113031062
N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]furan-2-carboxamide
CID 113028255
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide (CID 113012273) is N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide is O=C(Nc1ccc(NCc2ccc(Cl)cc2)nc1)c1ccco1.
What is the InChIKey of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide?
The InChIKey is WBTGBARPYFBYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-13-5-3-12(4-6-13)10-19-16-8-7-14(11-20-16)21-17(22)15-2-1-9-23-15/h1-9,11H,10H2,(H,19,20)(H,21,22).
What are the key properties of N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide?
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 113012273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).