N-(4-chloro-2,5-dimethoxyphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide

C19H18ClN3O4 — CID 109231618

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cncc(NCc3ccco3)c2)c(OC)cc1Cl
InChIInChI=1S/C19H18ClN3O4/c1-25-17-8-16(18(26-2)7-15(17)20)23-19(24)12-6-13(10-21-9-12)22-11-14-4-3-5-27-14/h3-10,22H,11H2,1-2H3,(H,23,24)
InChIKeyNWHOHNSEQSRVOA-UHFFFAOYSA-N
MW387.82 g/mol
LogP4.21
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109231618) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID109231618
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cncc(NCc3ccco3)c2)c(OC)cc1Cl
InChIInChI=1S/C19H18ClN3O4/c1-25-17-8-16(18(26-2)7-15(17)20)23-19(24)12-6-13(10-21-9-12)22-11-14-4-3-5-27-14/h3-10,22H,11H2,1-2H3,(H,23,24)
InChIKeyNWHOHNSEQSRVOA-UHFFFAOYSA-N
XLogP4.21
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109231933
N-(3,5-dichlorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231615
5-(furan-2-ylmethylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231563
N-(2-ethylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231536
5-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109231568
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109187810
5-(furan-2-ylmethylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109231540
5-(furan-2-ylmethylamino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227645
N-(2-cyanophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231622
N-(2,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231606
5-(furan-2-ylmethylamino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109231569
5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109231573

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide (CID 109231618) is N-(4-chloro-2,5-dimethoxyphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide is COc1cc(NC(=O)c2cncc(NCc3ccco3)c2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is NWHOHNSEQSRVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-25-17-8-16(18(26-2)7-15(17)20)23-19(24)12-6-13(10-21-9-12)22-11-14-4-3-5-27-14/h3-10,22H,11H2,1-2H3,(H,23,24).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 387.82 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109231618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).