N-[6-(3-cyclopropylimidazol-4-yl)-2-pyridinyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide

C25H22N6O — CID 58102933

IUPACN-[6-(3-cyclopropylimidazol-4-yl)-2-pyridinyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2cncn2C2CC2)n1)c1cc(-c2ccc(C3CC3)nc2)ccn1
InChIInChI=1S/C25H22N6O/c32-25(22-12-17(10-11-27-22)18-6-9-20(28-13-18)16-4-5-16)30-24-3-1-2-21(29-24)23-14-26-15-31(23)19-7-8-19/h1-3,6,9-16,19H,4-5,7-8H2,(H,29,30,32)
InChIKeyJOAGLBRFMWKWAY-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.87
Rot. Bonds6

About N-[6-(3-cyclopropylimidazol-4-yl)-2-pyridinyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide

N-[6-(3-cyclopropylimidazol-4-yl)-2-pyridinyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 58102933) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[6-(3-cyclopropylimidazol-4-yl)-2-pyridinyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-cyclopropylimidazol-4-yl)-2-pyridinyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID58102933
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC NameN-[6-(3-cyclopropylimidazol-4-yl)-2-pyridinyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2cncn2C2CC2)n1)c1cc(-c2ccc(C3CC3)nc2)ccn1
InChIInChI=1S/C25H22N6O/c32-25(22-12-17(10-11-27-22)18-6-9-20(28-13-18)16-4-5-16)30-24-3-1-2-21(29-24)23-14-26-15-31(23)19-7-8-19/h1-3,6,9-16,19H,4-5,7-8H2,(H,29,30,32)
InChIKeyJOAGLBRFMWKWAY-UHFFFAOYSA-N
XLogP4.87
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-cyclopropylimidazol-4-yl)-2-pyridinyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(3-cyclopropylimidazol-4-yl)-2-pyridinyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide (CID 58102933) is N-[6-(3-cyclopropylimidazol-4-yl)-2-pyridinyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(3-cyclopropylimidazol-4-yl)-2-pyridinyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(3-cyclopropylimidazol-4-yl)-2-pyridinyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide is O=C(Nc1cccc(-c2cncn2C2CC2)n1)c1cc(-c2ccc(C3CC3)nc2)ccn1.
What is the InChIKey of N-[6-(3-cyclopropylimidazol-4-yl)-2-pyridinyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is JOAGLBRFMWKWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c32-25(22-12-17(10-11-27-22)18-6-9-20(28-13-18)16-4-5-16)30-24-3-1-2-21(29-24)23-14-26-15-31(23)19-7-8-19/h1-3,6,9-16,19H,4-5,7-8H2,(H,29,30,32).
What are the key properties of N-[6-(3-cyclopropylimidazol-4-yl)-2-pyridinyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide?
N-[6-(3-cyclopropylimidazol-4-yl)-2-pyridinyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-cyclopropylimidazol-4-yl)-2-pyridinyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 58102933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).