4-N-(5-benzyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide

C22H20N4O2 — CID 141452931

IUPAC4-N-(5-benzyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
SMILESO=C(Nc1cncc(Cc2ccccc2)c1)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C22H20N4O2/c27-21(17-8-9-24-20(12-17)22(28)25-18-6-7-18)26-19-11-16(13-23-14-19)10-15-4-2-1-3-5-15/h1-5,8-9,11-14,18H,6-7,10H2,(H,25,28)(H,26,27)
InChIKeyNMGUEYSFMATRLB-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.21
Rot. Bonds6

About 4-N-(5-benzyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide

4-N-(5-benzyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide (PubChem CID 141452931) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-N-(5-benzyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(5-benzyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
PubChem CID141452931
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name4-N-(5-benzyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
SMILESO=C(Nc1cncc(Cc2ccccc2)c1)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C22H20N4O2/c27-21(17-8-9-24-20(12-17)22(28)25-18-6-7-18)26-19-11-16(13-23-14-19)10-15-4-2-1-3-5-15/h1-5,8-9,11-14,18H,6-7,10H2,(H,25,28)(H,26,27)
InChIKeyNMGUEYSFMATRLB-UHFFFAOYSA-N
XLogP3.21
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-cyclobutyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 141453014
2-N-cyclopropyl-4-N-[5-[2-[(dimethylamino)methyl]phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide
CID 141452937
2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide
CID 141452889
4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 141452915
2-N-cyclopropyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109078757
2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide
CID 141452929
2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081008
2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109078635
2-N-cyclopropyl-4-N-[6-(2-fluorophenyl)pyrazin-2-yl]pyridine-2,4-dicarboxamide
CID 141452902
4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080981
4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078718
4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109081406

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-benzyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(5-benzyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide (CID 141452931) is 4-N-(5-benzyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(5-benzyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(5-benzyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide is O=C(Nc1cncc(Cc2ccccc2)c1)c1ccnc(C(=O)NC2CC2)c1.
What is the InChIKey of 4-N-(5-benzyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide?
The InChIKey is NMGUEYSFMATRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-21(17-8-9-24-20(12-17)22(28)25-18-6-7-18)26-19-11-16(13-23-14-19)10-15-4-2-1-3-5-15/h1-5,8-9,11-14,18H,6-7,10H2,(H,25,28)(H,26,27).
What are the key properties of 4-N-(5-benzyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide?
4-N-(5-benzyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-benzyl-3-pyridinyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 141452931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).