5-amino-4-chloro-2-[furan-2-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzamide

C19H19ClN4O2 — CID 163489528

IUPAC5-amino-4-chloro-2-[furan-2-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1ccco1)c1cc(Cl)c(N)cc1C(=O)NCc1cccnc1
InChIInChI=1S/C19H19ClN4O2/c1-24(12-14-5-3-7-26-14)18-9-16(20)17(21)8-15(18)19(25)23-11-13-4-2-6-22-10-13/h2-10H,11-12,21H2,1H3,(H,23,25)
InChIKeyCLJWLSYONCAJEN-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.48
Rot. Bonds6

About 5-amino-4-chloro-2-[furan-2-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzamide

5-amino-4-chloro-2-[furan-2-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 163489528) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-amino-4-chloro-2-[furan-2-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-amino-4-chloro-2-[furan-2-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID163489528
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name5-amino-4-chloro-2-[furan-2-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1ccco1)c1cc(Cl)c(N)cc1C(=O)NCc1cccnc1
InChIInChI=1S/C19H19ClN4O2/c1-24(12-14-5-3-7-26-14)18-9-16(20)17(21)8-15(18)19(25)23-11-13-4-2-6-22-10-13/h2-10H,11-12,21H2,1H3,(H,23,25)
InChIKeyCLJWLSYONCAJEN-UHFFFAOYSA-N
XLogP3.48
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-ylmethyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 32687612
5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide
CID 107183451
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide
CID 61095317
4-(furan-2-ylmethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 24538489
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 2995794
2-(furan-2-ylmethylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109303262
5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 52558245
3-chloro-6-(methylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62187059
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
5-[(3-chlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 42747935

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-2-[furan-2-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 5-amino-4-chloro-2-[furan-2-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzamide (CID 163489528) is 5-amino-4-chloro-2-[furan-2-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 5-amino-4-chloro-2-[furan-2-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 5-amino-4-chloro-2-[furan-2-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzamide is CN(Cc1ccco1)c1cc(Cl)c(N)cc1C(=O)NCc1cccnc1.
What is the InChIKey of 5-amino-4-chloro-2-[furan-2-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is CLJWLSYONCAJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-24(12-14-5-3-7-26-14)18-9-16(20)17(21)8-15(18)19(25)23-11-13-4-2-6-22-10-13/h2-10H,11-12,21H2,1H3,(H,23,25).
What are the key properties of 5-amino-4-chloro-2-[furan-2-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzamide?
5-amino-4-chloro-2-[furan-2-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 370.84 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-2-[furan-2-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 163489528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).