4-(2-furyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide

C25H23N3O3 — CID 21716122

IUPAC4-(furan-2-yl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CO3)C(=O)NC4=CC=CC=C4
InChIInChI=1S/C25H23N3O3/c1-16-21(24(29)27-18-10-5-3-6-11-18)23(20-14-9-15-31-20)22(17(2)26-16)25(30)28-19-12-7-4-8-13-19/h3-15,23,26H,1-2H3,(H,27,29)(H,28,30)
InChIKeyZMEUGFNXRYBLOH-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.60
Rot. Bonds5

About 4-(2-furyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide

4-(2-furyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 21716122) has the molecular formula C25H23N3O3 and a molecular weight of 413.50 g/mol. Its IUPAC name is 4-(furan-2-yl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name4-(2-furyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID21716122
Molecular FormulaC25H23N3O3
Molecular Weight413.50 g/mol
Exact Mass413.17
IUPAC Name4-(furan-2-yl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CO3)C(=O)NC4=CC=CC=C4
InChIInChI=1S/C25H23N3O3/c1-16-21(24(29)27-18-10-5-3-6-11-18)23(20-14-9-15-31-20)22(17(2)26-16)25(30)28-19-12-7-4-8-13-19/h3-15,23,26H,1-2H3,(H,27,29)(H,28,30)
InChIKeyZMEUGFNXRYBLOH-UHFFFAOYSA-N
XLogP3.60
TPSA83.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity691

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

AR420626
CID 91885415
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N-(2-amino-5-(furan-2-yl)phenyl)benzamide
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2-methyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide
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N-{3-[(3-acetylphenyl)carbamoyl]phenyl}furan-2-carboxamide
CID 894360
3-(5-ethylfuran-2-yl)-N-(4-ethylphenyl)propanamide
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CID 1247120
N-{3-[(2-methylphenyl)carbamoyl]phenyl}furan-2-carboxamide
CID 1262944
3-benzamido-N-(4-ethoxyphenyl)benzamide
CID 1308956

Frequently Asked Questions

What is the IUPAC name of 4-(2-furyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 4-(2-furyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide (CID 21716122) is 4-(furan-2-yl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for 4-(2-furyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 4-(2-furyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide is CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CO3)C(=O)NC4=CC=CC=C4.
What is the InChIKey of 4-(2-furyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is ZMEUGFNXRYBLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16-21(24(29)27-18-10-5-3-6-11-18)23(20-14-9-15-31-20)22(17(2)26-16)25(30)28-19-12-7-4-8-13-19/h3-15,23,26H,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 4-(2-furyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide?
4-(2-furyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 413.50 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-furyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 21716122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).