4-amino-5-cyano-6-(cyclopropylmethylamino)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide

C26H30N8OS — CID 58503935

About 4-amino-5-cyano-6-(cyclopropylmethylamino)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide

4-amino-5-cyano-6-(cyclopropylmethylamino)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide (PubChem CID 58503935) has the molecular formula C26H30N8OS and a molecular weight of 502.65 g/mol. Its IUPAC name is 4-amino-5-cyano-6-(cyclopropylmethylamino)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-amino-5-cyano-6-(cyclopropylmethylamino)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 58503935
• Molecular Formula: C26H30N8OS
• Molecular Weight: 502.65 g/mol
• Exact Mass: 502.23
• IUPAC Name: 4-amino-5-cyano-6-(cyclopropylmethylamino)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
• SMILES: N#Cc1c(N)cc(C(=O)NCC2CCN(Cc3cnc(-c4ccccn4)s3)CC2)nc1NCC1CC1
• InChI: InChI=1S/C26H30N8OS/c27-12-20-21(28)11-23(33-24(20)30-13-17-4-5-17)25(35)31-14-18-6-9-34(10-7-18)16-19-15-32-26(36-19)22-3-1-2-8-29-22/h1-3,8,11,15,17-18H,4-7,9-10,13-14,16H2,(H,31,35)(H3,28,30,33)
• InChIKey: CXXSNIWNERDGAJ-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 132.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.65
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-6-(cyclopropylmethylamino)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide?

The IUPAC name of 4-amino-5-cyano-6-(cyclopropylmethylamino)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide (CID 58503935) is 4-amino-5-cyano-6-(cyclopropylmethylamino)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-amino-5-cyano-6-(cyclopropylmethylamino)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide?

The canonical SMILES for 4-amino-5-cyano-6-(cyclopropylmethylamino)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide is N#Cc1c(N)cc(C(=O)NCC2CCN(Cc3cnc(-c4ccccn4)s3)CC2)nc1NCC1CC1.

What is the InChIKey of 4-amino-5-cyano-6-(cyclopropylmethylamino)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide?

The InChIKey is CXXSNIWNERDGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8OS/c27-12-20-21(28)11-23(33-24(20)30-13-17-4-5-17)25(35)31-14-18-6-9-34(10-7-18)16-19-15-32-26(36-19)22-3-1-2-8-29-22/h1-3,8,11,15,17-18H,4-7,9-10,13-14,16H2,(H,31,35)(H3,28,30,33).

What are the key properties of 4-amino-5-cyano-6-(cyclopropylmethylamino)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide?

4-amino-5-cyano-6-(cyclopropylmethylamino)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide has a molecular weight of 502.65 g/mol, XLogP of 3.52, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-cyano-6-(cyclopropylmethylamino)-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 58503935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).