N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

C32H40N4O3S — CID 142430938

About N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (PubChem CID 142430938) has the molecular formula C32H40N4O3S and a molecular weight of 560.76 g/mol. Its IUPAC name is N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
• PubChem CID: 142430938
• Molecular Formula: C32H40N4O3S
• Molecular Weight: 560.76 g/mol
• Exact Mass: 560.28
• IUPAC Name: N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
• SMILES: COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnc(C5CC5)s4)ccn3)CC2)nc1C
• InChI: InChI=1S/C32H40N4O3S/c1-20-28(39-2)14-13-27(35-20)22-5-3-21(4-6-22)19-36(32(38)24-9-11-26(37)12-10-24)30-17-25(15-16-33-30)29-18-34-31(40-29)23-7-8-23/h13-18,21-24,26,37H,3-12,19H2,1-2H3
• InChIKey: LNDDYJXVGFPNAJ-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 88.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.76
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?

The IUPAC name of N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (CID 142430938) is N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.

What is the SMILES notation for N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?

The canonical SMILES for N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnc(C5CC5)s4)ccn3)CC2)nc1C.

What is the InChIKey of N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?

The InChIKey is LNDDYJXVGFPNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O3S/c1-20-28(39-2)14-13-27(35-20)22-5-3-21(4-6-22)19-36(32(38)24-9-11-26(37)12-10-24)30-17-25(15-16-33-30)29-18-34-31(40-29)23-7-8-23/h13-18,21-24,26,37H,3-12,19H2,1-2H3.

What are the key properties of N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?

N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 560.76 g/mol, XLogP of 6.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-hydroxy-N-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 142430938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).