1-methyl-6-oxo-N-[5-(2-phenylcyclopropyl)-2-pyridinyl]pyridine-3-carboxamide

C21H19N3O2 — CID 167675958

IUPAC1-methyl-6-oxo-N-[5-(2-phenylcyclopropyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(C3CC3c3ccccc3)cn2)ccc1=O
InChIInChI=1S/C21H19N3O2/c1-24-13-16(8-10-20(24)25)21(26)23-19-9-7-15(12-22-19)18-11-17(18)14-5-3-2-4-6-14/h2-10,12-13,17-18H,11H2,1H3,(H,22,23,26)
InChIKeyUUWIJAVQVLUKKA-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.30
Rot. Bonds4

About 1-methyl-6-oxo-N-[5-(2-phenylcyclopropyl)-2-pyridinyl]pyridine-3-carboxamide

1-methyl-6-oxo-N-[5-(2-phenylcyclopropyl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 167675958) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[5-(2-phenylcyclopropyl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[5-(2-phenylcyclopropyl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID167675958
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name1-methyl-6-oxo-N-[5-(2-phenylcyclopropyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(C3CC3c3ccccc3)cn2)ccc1=O
InChIInChI=1S/C21H19N3O2/c1-24-13-16(8-10-20(24)25)21(26)23-19-9-7-15(12-22-19)18-11-17(18)14-5-3-2-4-6-14/h2-10,12-13,17-18H,11H2,1H3,(H,22,23,26)
InChIKeyUUWIJAVQVLUKKA-UHFFFAOYSA-N
XLogP3.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[5-(2-phenylcyclopropyl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[5-(2-phenylcyclopropyl)-2-pyridinyl]pyridine-3-carboxamide (CID 167675958) is 1-methyl-6-oxo-N-[5-(2-phenylcyclopropyl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[5-(2-phenylcyclopropyl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[5-(2-phenylcyclopropyl)-2-pyridinyl]pyridine-3-carboxamide is Cn1cc(C(=O)Nc2ccc(C3CC3c3ccccc3)cn2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[5-(2-phenylcyclopropyl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is UUWIJAVQVLUKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-24-13-16(8-10-20(24)25)21(26)23-19-9-7-15(12-22-19)18-11-17(18)14-5-3-2-4-6-14/h2-10,12-13,17-18H,11H2,1H3,(H,22,23,26).
What are the key properties of 1-methyl-6-oxo-N-[5-(2-phenylcyclopropyl)-2-pyridinyl]pyridine-3-carboxamide?
1-methyl-6-oxo-N-[5-(2-phenylcyclopropyl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[5-(2-phenylcyclopropyl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 167675958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).