N-[6-(4-methyl-3-pyridinyl)cinnolin-3-yl]cyclopropanecarboxamide

C18H16N4O — CID 146488225

IUPACN-[6-(4-methyl-3-pyridinyl)cinnolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccncc1-c1ccc2nnc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C18H16N4O/c1-11-6-7-19-10-15(11)13-4-5-16-14(8-13)9-17(22-21-16)20-18(23)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,20,22,23)
InChIKeyKPEBGDVLSIQPRN-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.35
Rot. Bonds3

About N-[6-(4-methyl-3-pyridinyl)cinnolin-3-yl]cyclopropanecarboxamide

N-[6-(4-methyl-3-pyridinyl)cinnolin-3-yl]cyclopropanecarboxamide (PubChem CID 146488225) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[6-(4-methyl-3-pyridinyl)cinnolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-methyl-3-pyridinyl)cinnolin-3-yl]cyclopropanecarboxamide
PubChem CID146488225
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-[6-(4-methyl-3-pyridinyl)cinnolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccncc1-c1ccc2nnc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C18H16N4O/c1-11-6-7-19-10-15(11)13-4-5-16-14(8-13)9-17(22-21-16)20-18(23)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,20,22,23)
InChIKeyKPEBGDVLSIQPRN-UHFFFAOYSA-N
XLogP3.35
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methyl-3-pyridinyl)cinnolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(4-methyl-3-pyridinyl)cinnolin-3-yl]cyclopropanecarboxamide (CID 146488225) is N-[6-(4-methyl-3-pyridinyl)cinnolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(4-methyl-3-pyridinyl)cinnolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(4-methyl-3-pyridinyl)cinnolin-3-yl]cyclopropanecarboxamide is Cc1ccncc1-c1ccc2nnc(NC(=O)C3CC3)cc2c1.
What is the InChIKey of N-[6-(4-methyl-3-pyridinyl)cinnolin-3-yl]cyclopropanecarboxamide?
The InChIKey is KPEBGDVLSIQPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-11-6-7-19-10-15(11)13-4-5-16-14(8-13)9-17(22-21-16)20-18(23)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,20,22,23).
What are the key properties of N-[6-(4-methyl-3-pyridinyl)cinnolin-3-yl]cyclopropanecarboxamide?
N-[6-(4-methyl-3-pyridinyl)cinnolin-3-yl]cyclopropanecarboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methyl-3-pyridinyl)cinnolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146488225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).