6-bromo-N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide

C32H40BrN5O — CID 11353805

IUPAC6-bromo-N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ncc(Br)cc12
InChIInChI=1S/C32H40BrN5O/c33-24-20-27-29(32(39)35-25-12-6-2-7-13-25)28(30(36-31(27)34-21-24)23-10-4-1-5-11-23)22-37-18-14-26(15-19-37)38-16-8-3-9-17-38/h1,4-5,10-11,20-21,25-26H,2-3,6-9,12-19,22H2,(H,35,39)
InChIKeyIYSKFSCRUMOMCR-UHFFFAOYSA-N
MW590.61 g/mol
LogP6.57
Rot. Bonds6

About 6-bromo-N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide

6-bromo-N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide (PubChem CID 11353805) has the molecular formula C32H40BrN5O and a molecular weight of 590.61 g/mol. Its IUPAC name is 6-bromo-N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide
PubChem CID11353805
Molecular FormulaC32H40BrN5O
Molecular Weight590.61 g/mol
Exact Mass589.24
IUPAC Name6-bromo-N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ncc(Br)cc12
InChIInChI=1S/C32H40BrN5O/c33-24-20-27-29(32(39)35-25-12-6-2-7-13-25)28(30(36-31(27)34-21-24)23-10-4-1-5-11-23)22-37-18-14-26(15-19-37)38-16-8-3-9-17-38/h1,4-5,10-11,20-21,25-26H,2-3,6-9,12-19,22H2,(H,35,39)
InChIKeyIYSKFSCRUMOMCR-UHFFFAOYSA-N
XLogP6.57
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.61
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide?
The IUPAC name of 6-bromo-N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide (CID 11353805) is 6-bromo-N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide.
What is the SMILES notation for 6-bromo-N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide?
The canonical SMILES for 6-bromo-N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide is O=C(NC1CCCCC1)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ncc(Br)cc12.
What is the InChIKey of 6-bromo-N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide?
The InChIKey is IYSKFSCRUMOMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40BrN5O/c33-24-20-27-29(32(39)35-25-12-6-2-7-13-25)28(30(36-31(27)34-21-24)23-10-4-1-5-11-23)22-37-18-14-26(15-19-37)38-16-8-3-9-17-38/h1,4-5,10-11,20-21,25-26H,2-3,6-9,12-19,22H2,(H,35,39).
What are the key properties of 6-bromo-N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide?
6-bromo-N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide has a molecular weight of 590.61 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide is sourced from PubChem (CID 11353805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).