N-[5,7-dihydroxy-6,12-dimethyl-3-(2-methylpropyl)-2,10-dioxo-8-(pyridin-3-ylmethyl)-1-oxa-4,9-diazacyclododec-11-yl]-3-hydroxypyridine-2-carboxamide

C27H37N5O7 — CID 123487917

About N-[5,7-dihydroxy-6,12-dimethyl-3-(2-methylpropyl)-2,10-dioxo-8-(pyridin-3-ylmethyl)-1-oxa-4,9-diazacyclododec-11-yl]-3-hydroxypyridine-2-carboxamide

N-[5,7-dihydroxy-6,12-dimethyl-3-(2-methylpropyl)-2,10-dioxo-8-(pyridin-3-ylmethyl)-1-oxa-4,9-diazacyclododec-11-yl]-3-hydroxypyridine-2-carboxamide (PubChem CID 123487917) has the molecular formula C27H37N5O7 and a molecular weight of 543.62 g/mol. Its IUPAC name is N-[5,7-dihydroxy-6,12-dimethyl-3-(2-methylpropyl)-2,10-dioxo-8-(pyridin-3-ylmethyl)-1-oxa-4,9-diazacyclododec-11-yl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5,7-dihydroxy-6,12-dimethyl-3-(2-methylpropyl)-2,10-dioxo-8-(pyridin-3-ylmethyl)-1-oxa-4,9-diazacyclododec-11-yl]-3-hydroxypyridine-2-carboxamide
• PubChem CID: 123487917
• Molecular Formula: C27H37N5O7
• Molecular Weight: 543.62 g/mol
• Exact Mass: 543.27
• IUPAC Name: N-[5,7-dihydroxy-6,12-dimethyl-3-(2-methylpropyl)-2,10-dioxo-8-(pyridin-3-ylmethyl)-1-oxa-4,9-diazacyclododec-11-yl]-3-hydroxypyridine-2-carboxamide
• SMILES: CC(C)CC1NC(O)C(C)C(O)C(Cc2cccnc2)NC(=O)C(NC(=O)c2ncccc2O)C(C)OC1=O
• InChI: InChI=1S/C27H37N5O7/c1-14(2)11-19-27(38)39-16(4)21(32-26(37)22-20(33)8-6-10-29-22)25(36)30-18(12-17-7-5-9-28-13-17)23(34)15(3)24(35)31-19/h5-10,13-16,18-19,21,23-24,31,33-35H,11-12H2,1-4H3,(H,30,36)(H,32,37)
• InChIKey: UWKNXLJALIDRML-UHFFFAOYSA-N
• XLogP: 0.27
• TPSA: 183.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.62
LogP ≤ 5	0.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5,7-dihydroxy-6,12-dimethyl-3-(2-methylpropyl)-2,10-dioxo-8-(pyridin-3-ylmethyl)-1-oxa-4,9-diazacyclododec-11-yl]-3-hydroxypyridine-2-carboxamide?

The IUPAC name of N-[5,7-dihydroxy-6,12-dimethyl-3-(2-methylpropyl)-2,10-dioxo-8-(pyridin-3-ylmethyl)-1-oxa-4,9-diazacyclododec-11-yl]-3-hydroxypyridine-2-carboxamide (CID 123487917) is N-[5,7-dihydroxy-6,12-dimethyl-3-(2-methylpropyl)-2,10-dioxo-8-(pyridin-3-ylmethyl)-1-oxa-4,9-diazacyclododec-11-yl]-3-hydroxypyridine-2-carboxamide.

What is the SMILES notation for N-[5,7-dihydroxy-6,12-dimethyl-3-(2-methylpropyl)-2,10-dioxo-8-(pyridin-3-ylmethyl)-1-oxa-4,9-diazacyclododec-11-yl]-3-hydroxypyridine-2-carboxamide?

The canonical SMILES for N-[5,7-dihydroxy-6,12-dimethyl-3-(2-methylpropyl)-2,10-dioxo-8-(pyridin-3-ylmethyl)-1-oxa-4,9-diazacyclododec-11-yl]-3-hydroxypyridine-2-carboxamide is CC(C)CC1NC(O)C(C)C(O)C(Cc2cccnc2)NC(=O)C(NC(=O)c2ncccc2O)C(C)OC1=O.

What is the InChIKey of N-[5,7-dihydroxy-6,12-dimethyl-3-(2-methylpropyl)-2,10-dioxo-8-(pyridin-3-ylmethyl)-1-oxa-4,9-diazacyclododec-11-yl]-3-hydroxypyridine-2-carboxamide?

The InChIKey is UWKNXLJALIDRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O7/c1-14(2)11-19-27(38)39-16(4)21(32-26(37)22-20(33)8-6-10-29-22)25(36)30-18(12-17-7-5-9-28-13-17)23(34)15(3)24(35)31-19/h5-10,13-16,18-19,21,23-24,31,33-35H,11-12H2,1-4H3,(H,30,36)(H,32,37).

What are the key properties of N-[5,7-dihydroxy-6,12-dimethyl-3-(2-methylpropyl)-2,10-dioxo-8-(pyridin-3-ylmethyl)-1-oxa-4,9-diazacyclododec-11-yl]-3-hydroxypyridine-2-carboxamide?

N-[5,7-dihydroxy-6,12-dimethyl-3-(2-methylpropyl)-2,10-dioxo-8-(pyridin-3-ylmethyl)-1-oxa-4,9-diazacyclododec-11-yl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 543.62 g/mol, XLogP of 0.27, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5,7-dihydroxy-6,12-dimethyl-3-(2-methylpropyl)-2,10-dioxo-8-(pyridin-3-ylmethyl)-1-oxa-4,9-diazacyclododec-11-yl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 123487917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).