N-[5-[5-cyano-6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide

C26H25N7O2 — CID 130417974

About N-[5-[5-cyano-6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide

N-[5-[5-cyano-6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide (PubChem CID 130417974) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[5-[5-cyano-6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-cyano-6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
• PubChem CID: 130417974
• Molecular Formula: C26H25N7O2
• Molecular Weight: 467.53 g/mol
• Exact Mass: 467.21
• IUPAC Name: N-[5-[5-cyano-6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
• SMILES: Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(N[C@@H]2CCOC2)c(C#N)c1
• InChI: InChI=1S/C26H25N7O2/c1-16-22(19-8-18(11-27)24(31-12-19)32-20-5-7-35-14-20)10-21(13-30-16)33-25(34)17-4-6-29-23(9-17)26(2,3)15-28/h4,6,8-10,12-13,20H,5,7,14H2,1-3H3,(H,31,32)(H,33,34)/t20-/m1/s1
• InChIKey: RBWQDTZEWJHHMZ-HXUWFJFHSA-N
• XLogP: 3.97
• TPSA: 136.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.53
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-cyano-6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?

The IUPAC name of N-[5-[5-cyano-6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide (CID 130417974) is N-[5-[5-cyano-6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide.

What is the SMILES notation for N-[5-[5-cyano-6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?

The canonical SMILES for N-[5-[5-cyano-6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(N[C@@H]2CCOC2)c(C#N)c1.

What is the InChIKey of N-[5-[5-cyano-6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?

The InChIKey is RBWQDTZEWJHHMZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-16-22(19-8-18(11-27)24(31-12-19)32-20-5-7-35-14-20)10-21(13-30-16)33-25(34)17-4-6-29-23(9-17)26(2,3)15-28/h4,6,8-10,12-13,20H,5,7,14H2,1-3H3,(H,31,32)(H,33,34)/t20-/m1/s1.

What are the key properties of N-[5-[5-cyano-6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?

N-[5-[5-cyano-6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-cyano-6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 130417974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).