N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-5-(6-cyclopropyl-3-pyridinyl)-1-methyl-2-oxopyridine-3-carboxamide

C26H24N6O2 — CID 160805593

IUPACN-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-5-(6-cyclopropyl-3-pyridinyl)-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cc(-c2ccc(C3CC3)nc2)cc(C(=O)Nc2cccc(-c3nccn3C3CC3)n2)c1=O
InChIInChI=1S/C26H24N6O2/c1-31-15-18(17-7-10-21(28-14-17)16-5-6-16)13-20(26(31)34)25(33)30-23-4-2-3-22(29-23)24-27-11-12-32(24)19-8-9-19/h2-4,7,10-16,19H,5-6,8-9H2,1H3,(H,29,30,33)
InChIKeyBGKHBQILFRZQPL-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.17
Rot. Bonds6

About N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-5-(6-cyclopropyl-3-pyridinyl)-1-methyl-2-oxopyridine-3-carboxamide

N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-5-(6-cyclopropyl-3-pyridinyl)-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 160805593) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-5-(6-cyclopropyl-3-pyridinyl)-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-5-(6-cyclopropyl-3-pyridinyl)-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID160805593
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC NameN-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-5-(6-cyclopropyl-3-pyridinyl)-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cc(-c2ccc(C3CC3)nc2)cc(C(=O)Nc2cccc(-c3nccn3C3CC3)n2)c1=O
InChIInChI=1S/C26H24N6O2/c1-31-15-18(17-7-10-21(28-14-17)16-5-6-16)13-20(26(31)34)25(33)30-23-4-2-3-22(29-23)24-27-11-12-32(24)19-8-9-19/h2-4,7,10-16,19H,5-6,8-9H2,1H3,(H,29,30,33)
InChIKeyBGKHBQILFRZQPL-UHFFFAOYSA-N
XLogP4.17
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-5-(6-cyclopropyl-3-pyridinyl)-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-5-(6-cyclopropyl-3-pyridinyl)-1-methyl-2-oxopyridine-3-carboxamide (CID 160805593) is N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-5-(6-cyclopropyl-3-pyridinyl)-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-5-(6-cyclopropyl-3-pyridinyl)-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-5-(6-cyclopropyl-3-pyridinyl)-1-methyl-2-oxopyridine-3-carboxamide is Cn1cc(-c2ccc(C3CC3)nc2)cc(C(=O)Nc2cccc(-c3nccn3C3CC3)n2)c1=O.
What is the InChIKey of N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-5-(6-cyclopropyl-3-pyridinyl)-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is BGKHBQILFRZQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-31-15-18(17-7-10-21(28-14-17)16-5-6-16)13-20(26(31)34)25(33)30-23-4-2-3-22(29-23)24-27-11-12-32(24)19-8-9-19/h2-4,7,10-16,19H,5-6,8-9H2,1H3,(H,29,30,33).
What are the key properties of N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-5-(6-cyclopropyl-3-pyridinyl)-1-methyl-2-oxopyridine-3-carboxamide?
N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-5-(6-cyclopropyl-3-pyridinyl)-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-5-(6-cyclopropyl-3-pyridinyl)-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 160805593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).