2-chloro-N-[(3S,4S)-3-hydroxy-1-[5-[7-[(1-methylpiperidin-4-yl)methoxy]-1,6-naphthyridin-5-yl]-2-pyridinyl]piperidin-4-yl]benzamide

C32H35ClN6O3 — CID 156869795

IUPAC2-chloro-N-[(3S,4S)-3-hydroxy-1-[5-[7-[(1-methylpiperidin-4-yl)methoxy]-1,6-naphthyridin-5-yl]-2-pyridinyl]piperidin-4-yl]benzamide
SMILESCN1CCC(COc2cc3ncccc3c(-c3ccc(N4CC[C@H](NC(=O)c5ccccc5Cl)[C@@H](O)C4)nc3)n2)CC1
InChIInChI=1S/C32H35ClN6O3/c1-38-14-10-21(11-15-38)20-42-30-17-27-24(6-4-13-34-27)31(37-30)22-8-9-29(35-18-22)39-16-12-26(28(40)19-39)36-32(41)23-5-2-3-7-25(23)33/h2-9,13,17-18,21,26,28,40H,10-12,14-16,19-20H2,1H3,(H,36,41)/t26-,28-/m0/s1
InChIKeyAIOLEGPHNUALCN-XCZPVHLTSA-N
MW587.12 g/mol
LogP4.44
Rot. Bonds7

About 2-chloro-N-[(3S,4S)-3-hydroxy-1-[5-[7-[(1-methylpiperidin-4-yl)methoxy]-1,6-naphthyridin-5-yl]-2-pyridinyl]piperidin-4-yl]benzamide

2-chloro-N-[(3S,4S)-3-hydroxy-1-[5-[7-[(1-methylpiperidin-4-yl)methoxy]-1,6-naphthyridin-5-yl]-2-pyridinyl]piperidin-4-yl]benzamide (PubChem CID 156869795) has the molecular formula C32H35ClN6O3 and a molecular weight of 587.12 g/mol. Its IUPAC name is 2-chloro-N-[(3S,4S)-3-hydroxy-1-[5-[7-[(1-methylpiperidin-4-yl)methoxy]-1,6-naphthyridin-5-yl]-2-pyridinyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3S,4S)-3-hydroxy-1-[5-[7-[(1-methylpiperidin-4-yl)methoxy]-1,6-naphthyridin-5-yl]-2-pyridinyl]piperidin-4-yl]benzamide
PubChem CID156869795
Molecular FormulaC32H35ClN6O3
Molecular Weight587.12 g/mol
Exact Mass586.25
IUPAC Name2-chloro-N-[(3S,4S)-3-hydroxy-1-[5-[7-[(1-methylpiperidin-4-yl)methoxy]-1,6-naphthyridin-5-yl]-2-pyridinyl]piperidin-4-yl]benzamide
SMILESCN1CCC(COc2cc3ncccc3c(-c3ccc(N4CC[C@H](NC(=O)c5ccccc5Cl)[C@@H](O)C4)nc3)n2)CC1
InChIInChI=1S/C32H35ClN6O3/c1-38-14-10-21(11-15-38)20-42-30-17-27-24(6-4-13-34-27)31(37-30)22-8-9-29(35-18-22)39-16-12-26(28(40)19-39)36-32(41)23-5-2-3-7-25(23)33/h2-9,13,17-18,21,26,28,40H,10-12,14-16,19-20H2,1H3,(H,36,41)/t26-,28-/m0/s1
InChIKeyAIOLEGPHNUALCN-XCZPVHLTSA-N
XLogP4.44
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.12
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-chloro-N-[(3S,4S)-3-hydroxy-1-[5-[7-[(1-methylpiperidin-4-yl)methoxy]-1,6-naphthyridin-5-yl]-2-pyridinyl]piperidin-4-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3S,4S)-3-hydroxy-1-[5-[7-[(1-methylpiperidin-4-yl)methoxy]-1,6-naphthyridin-5-yl]-2-pyridinyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[(3S,4S)-3-hydroxy-1-[5-[7-[(1-methylpiperidin-4-yl)methoxy]-1,6-naphthyridin-5-yl]-2-pyridinyl]piperidin-4-yl]benzamide (CID 156869795) is 2-chloro-N-[(3S,4S)-3-hydroxy-1-[5-[7-[(1-methylpiperidin-4-yl)methoxy]-1,6-naphthyridin-5-yl]-2-pyridinyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(3S,4S)-3-hydroxy-1-[5-[7-[(1-methylpiperidin-4-yl)methoxy]-1,6-naphthyridin-5-yl]-2-pyridinyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(3S,4S)-3-hydroxy-1-[5-[7-[(1-methylpiperidin-4-yl)methoxy]-1,6-naphthyridin-5-yl]-2-pyridinyl]piperidin-4-yl]benzamide is CN1CCC(COc2cc3ncccc3c(-c3ccc(N4CC[C@H](NC(=O)c5ccccc5Cl)[C@@H](O)C4)nc3)n2)CC1.
What is the InChIKey of 2-chloro-N-[(3S,4S)-3-hydroxy-1-[5-[7-[(1-methylpiperidin-4-yl)methoxy]-1,6-naphthyridin-5-yl]-2-pyridinyl]piperidin-4-yl]benzamide?
The InChIKey is AIOLEGPHNUALCN-XCZPVHLTSA-N. The full InChI is InChI=1S/C32H35ClN6O3/c1-38-14-10-21(11-15-38)20-42-30-17-27-24(6-4-13-34-27)31(37-30)22-8-9-29(35-18-22)39-16-12-26(28(40)19-39)36-32(41)23-5-2-3-7-25(23)33/h2-9,13,17-18,21,26,28,40H,10-12,14-16,19-20H2,1H3,(H,36,41)/t26-,28-/m0/s1.
What are the key properties of 2-chloro-N-[(3S,4S)-3-hydroxy-1-[5-[7-[(1-methylpiperidin-4-yl)methoxy]-1,6-naphthyridin-5-yl]-2-pyridinyl]piperidin-4-yl]benzamide?
2-chloro-N-[(3S,4S)-3-hydroxy-1-[5-[7-[(1-methylpiperidin-4-yl)methoxy]-1,6-naphthyridin-5-yl]-2-pyridinyl]piperidin-4-yl]benzamide has a molecular weight of 587.12 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3S,4S)-3-hydroxy-1-[5-[7-[(1-methylpiperidin-4-yl)methoxy]-1,6-naphthyridin-5-yl]-2-pyridinyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 156869795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).