N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,5-naphthyridine-2-carboxamide

C30H37N7O3 — CID 118646839

About N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,5-naphthyridine-2-carboxamide

N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,5-naphthyridine-2-carboxamide (PubChem CID 118646839) has the molecular formula C30H37N7O3 and a molecular weight of 543.67 g/mol. Its IUPAC name is N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,5-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,5-naphthyridine-2-carboxamide
• PubChem CID: 118646839
• Molecular Formula: C30H37N7O3
• Molecular Weight: 543.67 g/mol
• Exact Mass: 543.30
• IUPAC Name: N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,5-naphthyridine-2-carboxamide
• SMILES: N[C@@H]1CN(c2ccncc2NC(=O)c2ccc3ncc(N4CCC5(CCCO5)CC4)cc3n2)C[C@H](C2CC2)[C@H]1O
• InChI: InChI=1S/C30H37N7O3/c31-22-18-37(17-21(28(22)38)19-2-3-19)27-6-10-32-16-26(27)35-29(39)24-5-4-23-25(34-24)14-20(15-33-23)36-11-8-30(9-12-36)7-1-13-40-30/h4-6,10,14-16,19,21-22,28,38H,1-3,7-9,11-13,17-18,31H2,(H,35,39)/t21-,22-,28-/m1/s1
• InChIKey: ZGCYGVBXRSPXOD-DQCZWYHMSA-N
• XLogP: 2.96
• TPSA: 129.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.67
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,5-naphthyridine-2-carboxamide?

The IUPAC name of N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,5-naphthyridine-2-carboxamide (CID 118646839) is N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,5-naphthyridine-2-carboxamide.

What is the SMILES notation for N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,5-naphthyridine-2-carboxamide?

The canonical SMILES for N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,5-naphthyridine-2-carboxamide is N[C@@H]1CN(c2ccncc2NC(=O)c2ccc3ncc(N4CCC5(CCCO5)CC4)cc3n2)C[C@H](C2CC2)[C@H]1O.

What is the InChIKey of N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,5-naphthyridine-2-carboxamide?

The InChIKey is ZGCYGVBXRSPXOD-DQCZWYHMSA-N. The full InChI is InChI=1S/C30H37N7O3/c31-22-18-37(17-21(28(22)38)19-2-3-19)27-6-10-32-16-26(27)35-29(39)24-5-4-23-25(34-24)14-20(15-33-23)36-11-8-30(9-12-36)7-1-13-40-30/h4-6,10,14-16,19,21-22,28,38H,1-3,7-9,11-13,17-18,31H2,(H,35,39)/t21-,22-,28-/m1/s1.

What are the key properties of N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,5-naphthyridine-2-carboxamide?

N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,5-naphthyridine-2-carboxamide has a molecular weight of 543.67 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3R,4R,5S)-3-amino-5-cyclopropyl-4-hydroxypiperidin-1-yl]-3-pyridinyl]-7-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 118646839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).