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N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C26H32N8O3S — CID 158437878

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1nc2c(cc1CN1CCN(C)CC1=O)CCCN2C(=O)Nc1cc(N2CCSCC2)c(C#N)cn1
InChIInChI=1S/C26H32N8O3S/c1-31-6-7-33(23(35)17-31)16-19-12-18-4-3-5-34(24(18)30-25(19)37-2)26(36)29-22-13-21(20(14-27)15-28-22)32-8-10-38-11-9-32/h12-13,15H,3-11,16-17H2,1-2H3,(H,28,29,36)
InChIKeyJORARILYJDZRGB-UHFFFAOYSA-N
MW536.66 g/mol
LogP2.17
Rot. Bonds5

About N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 158437878) has the molecular formula C26H32N8O3S and a molecular weight of 536.66 g/mol. Its IUPAC name is N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID158437878
Molecular FormulaC26H32N8O3S
Molecular Weight536.66 g/mol
Exact Mass536.23
IUPAC NameN-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1nc2c(cc1CN1CCN(C)CC1=O)CCCN2C(=O)Nc1cc(N2CCSCC2)c(C#N)cn1
InChIInChI=1S/C26H32N8O3S/c1-31-6-7-33(23(35)17-31)16-19-12-18-4-3-5-34(24(18)30-25(19)37-2)26(36)29-22-13-21(20(14-27)15-28-22)32-8-10-38-11-9-32/h12-13,15H,3-11,16-17H2,1-2H3,(H,28,29,36)
InChIKeyJORARILYJDZRGB-UHFFFAOYSA-N
XLogP2.17
TPSA117.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.66
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 158437878) is N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COc1nc2c(cc1CN1CCN(C)CC1=O)CCCN2C(=O)Nc1cc(N2CCSCC2)c(C#N)cn1.
What is the InChIKey of N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is JORARILYJDZRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O3S/c1-31-6-7-33(23(35)17-31)16-19-12-18-4-3-5-34(24(18)30-25(19)37-2)26(36)29-22-13-21(20(14-27)15-28-22)32-8-10-38-11-9-32/h12-13,15H,3-11,16-17H2,1-2H3,(H,28,29,36).
What are the key properties of N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 536.66 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-thiomorpholin-4-yl-2-pyridinyl)-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 158437878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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