N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide

C21H16Cl2N6O — CID 45137822

About N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 45137822) has the molecular formula C21H16Cl2N6O and a molecular weight of 439.31 g/mol. Its IUPAC name is N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide
• PubChem CID: 45137822
• Molecular Formula: C21H16Cl2N6O
• Molecular Weight: 439.31 g/mol
• Exact Mass: 438.08
• IUPAC Name: N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide
• SMILES: O=C(Nc1cc(C2CC2)ccn1)c1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cn1
• InChI: InChI=1S/C21H16Cl2N6O/c22-13-2-1-3-14(23)19(13)29-21-26-15-9-16(25-10-17(15)27-21)20(30)28-18-8-12(6-7-24-18)11-4-5-11/h1-3,6-11H,4-5H2,(H,24,28,30)(H2,26,27,29)
• InChIKey: ZVSGMRWQLSLDBZ-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 95.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.31
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The IUPAC name of N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 45137822) is N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide.

What is the SMILES notation for N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The canonical SMILES for N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide is O=C(Nc1cc(C2CC2)ccn1)c1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cn1.

What is the InChIKey of N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The InChIKey is ZVSGMRWQLSLDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N6O/c22-13-2-1-3-14(23)19(13)29-21-26-15-9-16(25-10-17(15)27-21)20(30)28-18-8-12(6-7-24-18)11-4-5-11/h1-3,6-11H,4-5H2,(H,24,28,30)(H2,26,27,29).

What are the key properties of N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide?

N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 439.31 g/mol, XLogP of 5.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-cyclopropyl-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 45137822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).