4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide

C19H18N4O2 — CID 109081016

IUPAC4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(C(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C19H18N4O2/c20-12-13-5-7-16(8-6-13)22-18(24)14-9-10-21-17(11-14)19(25)23-15-3-1-2-4-15/h5-11,15H,1-4H2,(H,22,24)(H,23,25)
InChIKeyHLFCTGXSWJMFEO-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.88
Rot. Bonds4

About 4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide

4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide (PubChem CID 109081016) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
PubChem CID109081016
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(C(=O)NC3CCCC3)c2)cc1
InChIInChI=1S/C19H18N4O2/c20-12-13-5-7-16(8-6-13)22-18(24)14-9-10-21-17(11-14)19(25)23-15-3-1-2-4-15/h5-11,15H,1-4H2,(H,22,24)(H,23,25)
InChIKeyHLFCTGXSWJMFEO-UHFFFAOYSA-N
XLogP2.88
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088380
2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109081616
2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081008
4-N-(3-chloro-4-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080961
4-N-cyclopentyl-2-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080804
4-N-cyclopentyl-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109080780
4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080981
2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109081613
4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109089232
4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109080807
4-N-(4-cyanophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087689
4-N-(4-cyanophenyl)-2-N-(2,6-diethylphenyl)pyridine-2,4-dicarboxamide
CID 109092546

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide (CID 109081016) is 4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide is N#Cc1ccc(NC(=O)c2ccnc(C(=O)NC3CCCC3)c2)cc1.
What is the InChIKey of 4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide?
The InChIKey is HLFCTGXSWJMFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-12-13-5-7-16(8-6-13)22-18(24)14-9-10-21-17(11-14)19(25)23-15-3-1-2-4-15/h5-11,15H,1-4H2,(H,22,24)(H,23,25).
What are the key properties of 4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide?
4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109081016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).