6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C23H25N7O4 — CID 58548241

About 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 58548241) has the molecular formula C23H25N7O4 and a molecular weight of 463.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
• PubChem CID: 58548241
• Molecular Formula: C23H25N7O4
• Molecular Weight: 463.50 g/mol
• Exact Mass: 463.20
• IUPAC Name: 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
• SMILES: CN(CC(O)CO)C(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
• InChI: InChI=1S/C23H25N7O4/c1-30(11-16(32)12-31)23(34)17-6-7-24-10-20(17)29-22(33)21-19(27-15-8-25-13-26-9-15)5-4-18(28-21)14-2-3-14/h4-10,13-14,16,27,31-32H,2-3,11-12H2,1H3,(H,29,33)
• InChIKey: FYMVKYWVEUUYPF-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 153.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.50
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 58548241) is 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CN(CC(O)CO)C(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.

What is the InChIKey of 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

The InChIKey is FYMVKYWVEUUYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O4/c1-30(11-16(32)12-31)23(34)17-6-7-24-10-20(17)29-22(33)21-19(27-15-8-25-13-26-9-15)5-4-18(28-21)14-2-3-14/h4-10,13-14,16,27,31-32H,2-3,11-12H2,1H3,(H,29,33).

What are the key properties of 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 463.50 g/mol, XLogP of 1.57, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58548241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).