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

C24H30ClN7O3S — CID 58504125

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

4-amino-5-chloro-6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide (PubChem CID 58504125) has the molecular formula C24H30ClN7O3S and a molecular weight of 532.07 g/mol. Its IUPAC name is 4-amino-5-chloro-6-[[(2R)-2,3-dihydroxypropyl]amino]-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-chloro-6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 58504125
• Molecular Formula: C24H30ClN7O3S
• Molecular Weight: 532.07 g/mol
• Exact Mass: 531.18
• IUPAC Name: 4-amino-5-chloro-6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
• SMILES: Nc1cc(C(=O)NCC2CCN(Cc3cnc(-c4ccccn4)s3)CC2)nc(NC[C@@H](O)CO)c1Cl
• InChI: InChI=1S/C24H30ClN7O3S/c25-21-18(26)9-20(31-22(21)28-11-16(34)14-33)23(35)29-10-15-4-7-32(8-5-15)13-17-12-30-24(36-17)19-3-1-2-6-27-19/h1-3,6,9,12,15-16,33-34H,4-5,7-8,10-11,13-14H2,(H,29,35)(H3,26,28,31)/t16-/m1/s1
• InChIKey: ONFHYNZFKQJVPL-MRXNPFEDSA-N
• XLogP: 2.24
• TPSA: 149.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.07
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-6-[[(2R)-2,3-dihydroxypropyl]amino]-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-chloro-6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide (CID 58504125) is 4-amino-5-chloro-6-[[(2R)-2,3-dihydroxypropyl]amino]-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-chloro-6-[[(2R)-2,3-dihydroxypropyl]amino]-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-chloro-6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide is Nc1cc(C(=O)NCC2CCN(Cc3cnc(-c4ccccn4)s3)CC2)nc(NC[C@@H](O)CO)c1Cl.

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

The InChIKey is ONFHYNZFKQJVPL-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H30ClN7O3S/c25-21-18(26)9-20(31-22(21)28-11-16(34)14-33)23(35)29-10-15-4-7-32(8-5-15)13-17-12-30-24(36-17)19-3-1-2-6-27-19/h1-3,6,9,12,15-16,33-34H,4-5,7-8,10-11,13-14H2,(H,29,35)(H3,26,28,31)/t16-/m1/s1.

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

4-amino-5-chloro-6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide has a molecular weight of 532.07 g/mol, XLogP of 2.24, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-chloro-6-[[(2R)-2,3-dihydroxypropyl]amino]-N-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 58504125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).