2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide

C26H22N4O2 — CID 60554928

IUPAC2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c1
InChIInChI=1S/C26H22N4O2/c31-25(28-16-20-7-3-4-13-27-20)18-6-5-8-19(14-18)29-26(32)22-15-24(17-11-12-17)30-23-10-2-1-9-21(22)23/h1-10,13-15,17H,11-12,16H2,(H,28,31)(H,29,32)
InChIKeyUPALIEZDILRYNR-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.69
Rot. Bonds6

About 2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide

2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide (PubChem CID 60554928) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide
PubChem CID60554928
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c1
InChIInChI=1S/C26H22N4O2/c31-25(28-16-20-7-3-4-13-27-20)18-6-5-8-19(14-18)29-26(32)22-15-24(17-11-12-17)30-23-10-2-1-9-21(22)23/h1-10,13-15,17H,11-12,16H2,(H,28,31)(H,29,32)
InChIKeyUPALIEZDILRYNR-UHFFFAOYSA-N
XLogP4.69
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112833724
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 47041310
2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide
CID 31745720
2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 9040689
2-phenyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 757671
2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783783
2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 60555105
N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide
CID 30456130
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide (CID 60554928) is 2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide is O=C(NCc1ccccn1)c1cccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c1.
What is the InChIKey of 2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide?
The InChIKey is UPALIEZDILRYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c31-25(28-16-20-7-3-4-13-27-20)18-6-5-8-19(14-18)29-26(32)22-15-24(17-11-12-17)30-23-10-2-1-9-21(22)23/h1-10,13-15,17H,11-12,16H2,(H,28,31)(H,29,32).
What are the key properties of 2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide?
2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 60554928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).