N-[3-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide

C17H14ClN3O2 — CID 133351732

IUPACN-[3-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(CNc2ccncc2Cl)c1)c1ccco1
InChIInChI=1S/C17H14ClN3O2/c18-14-11-19-7-6-15(14)20-10-12-3-1-4-13(9-12)21-17(22)16-5-2-8-23-16/h1-9,11H,10H2,(H,19,20)(H,21,22)
InChIKeyVNDXUQWXYVFMFG-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.19
Rot. Bonds5

About N-[3-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide

N-[3-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 133351732) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-[3-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide
PubChem CID133351732
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-[3-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(CNc2ccncc2Cl)c1)c1ccco1
InChIInChI=1S/C17H14ClN3O2/c18-14-11-19-7-6-15(14)20-10-12-3-1-4-13(9-12)21-17(22)16-5-2-8-23-16/h1-9,11H,10H2,(H,19,20)(H,21,22)
InChIKeyVNDXUQWXYVFMFG-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

N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
CID 133310527
N-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 86940328
N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide
CID 32878628
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 37026412
N-[3-(2-pyridin-3-ylethoxy)phenyl]furan-2-carboxamide
CID 75457531
3-[[(3-chloro-4-pyridinyl)amino]methyl]benzonitrile
CID 79840330
N-[3-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 46453642
N-[3-[[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 46401295
N-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
CID 133481732
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]furan-2-carboxamide
CID 113027750
N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 17297144
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide (CID 133351732) is N-[3-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(CNc2ccncc2Cl)c1)c1ccco1.
What is the InChIKey of N-[3-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is VNDXUQWXYVFMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-14-11-19-7-6-15(14)20-10-12-3-1-4-13(9-12)21-17(22)16-5-2-8-23-16/h1-9,11H,10H2,(H,19,20)(H,21,22).
What are the key properties of N-[3-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide?
N-[3-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]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-[3-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 133351732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).