N-(5,6-dipyridin-4-yl-2-pyridinyl)cyclopropanecarboxamide

C19H16N4O — CID 46880510

IUPACN-(5,6-dipyridin-4-yl-2-pyridinyl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-c2ccncc2)c(-c2ccncc2)n1)C1CC1
InChIInChI=1S/C19H16N4O/c24-19(15-1-2-15)23-17-4-3-16(13-5-9-20-10-6-13)18(22-17)14-7-11-21-12-8-14/h3-12,15H,1-2H2,(H,22,23,24)
InChIKeyYDGZTEVHLPBBGZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.55
Rot. Bonds4

About N-(5,6-dipyridin-4-yl-2-pyridinyl)cyclopropanecarboxamide

N-(5,6-dipyridin-4-yl-2-pyridinyl)cyclopropanecarboxamide (PubChem CID 46880510) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(5,6-dipyridin-4-yl-2-pyridinyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5,6-dipyridin-4-yl-2-pyridinyl)cyclopropanecarboxamide
PubChem CID46880510
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-(5,6-dipyridin-4-yl-2-pyridinyl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-c2ccncc2)c(-c2ccncc2)n1)C1CC1
InChIInChI=1S/C19H16N4O/c24-19(15-1-2-15)23-17-4-3-16(13-5-9-20-10-6-13)18(22-17)14-7-11-21-12-8-14/h3-12,15H,1-2H2,(H,22,23,24)
InChIKeyYDGZTEVHLPBBGZ-UHFFFAOYSA-N
XLogP3.55
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dipyridin-4-yl-2-pyridinyl)cyclopropanecarboxamide?
The IUPAC name of N-(5,6-dipyridin-4-yl-2-pyridinyl)cyclopropanecarboxamide (CID 46880510) is N-(5,6-dipyridin-4-yl-2-pyridinyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5,6-dipyridin-4-yl-2-pyridinyl)cyclopropanecarboxamide?
The canonical SMILES for N-(5,6-dipyridin-4-yl-2-pyridinyl)cyclopropanecarboxamide is O=C(Nc1ccc(-c2ccncc2)c(-c2ccncc2)n1)C1CC1.
What is the InChIKey of N-(5,6-dipyridin-4-yl-2-pyridinyl)cyclopropanecarboxamide?
The InChIKey is YDGZTEVHLPBBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c24-19(15-1-2-15)23-17-4-3-16(13-5-9-20-10-6-13)18(22-17)14-7-11-21-12-8-14/h3-12,15H,1-2H2,(H,22,23,24).
What are the key properties of N-(5,6-dipyridin-4-yl-2-pyridinyl)cyclopropanecarboxamide?
N-(5,6-dipyridin-4-yl-2-pyridinyl)cyclopropanecarboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dipyridin-4-yl-2-pyridinyl)cyclopropanecarboxamide is sourced from PubChem (CID 46880510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).