N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide

C25H22N6O2S — CID 139386797

IUPACN-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cnc2c(c1)CCCN2)Nc1nc(-c2cccc(-c3ccncc3)c2)cs1
InChIInChI=1S/C25H22N6O2S/c32-22(14-29-24(33)20-12-19-5-2-8-27-23(19)28-13-20)31-25-30-21(15-34-25)18-4-1-3-17(11-18)16-6-9-26-10-7-16/h1,3-4,6-7,9-13,15H,2,5,8,14H2,(H,27,28)(H,29,33)(H,30,31,32)
InChIKeyRBOZFEPINPAQGE-UHFFFAOYSA-N
MW470.56 g/mol
LogP3.99
Rot. Bonds6

About N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide

N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide (PubChem CID 139386797) has the molecular formula C25H22N6O2S and a molecular weight of 470.56 g/mol. Its IUPAC name is N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide
PubChem CID139386797
Molecular FormulaC25H22N6O2S
Molecular Weight470.56 g/mol
Exact Mass470.15
IUPAC NameN-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cnc2c(c1)CCCN2)Nc1nc(-c2cccc(-c3ccncc3)c2)cs1
InChIInChI=1S/C25H22N6O2S/c32-22(14-29-24(33)20-12-19-5-2-8-27-23(19)28-13-20)31-25-30-21(15-34-25)18-4-1-3-17(11-18)16-6-9-26-10-7-16/h1,3-4,6-7,9-13,15H,2,5,8,14H2,(H,27,28)(H,29,33)(H,30,31,32)
InChIKeyRBOZFEPINPAQGE-UHFFFAOYSA-N
XLogP3.99
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide with MolForge

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Related Compounds

N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide
CID 153333092
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-imidazole-5-carboxamide
CID 154669466
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide
CID 166521641
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-propan-2-ylsulfonylbenzamide
CID 166172356
1-(2-aminoethyl)-N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyrrole-3-carboxamide
CID 154669257
tert-butyl N-[2-[3-[[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]carbamoyl]phenyl]propan-2-yl]carbamate
CID 166172235
N-[2-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-fluorobenzamide
CID 112805403
4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 36539746
4-amino-N-[2-[[4-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 155792349
(Z,2E)-2-ethylidene-N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pent-3-enamide
CID 154668432
(8R)-N-[2-[[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-8-(hydroxymethyl)-8-methyl-6,7-dihydro-5H-naphthalene-2-carboxamide
CID 166521680
N-[2-[[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155037029

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide (CID 139386797) is N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide is O=C(CNC(=O)c1cnc2c(c1)CCCN2)Nc1nc(-c2cccc(-c3ccncc3)c2)cs1.
What is the InChIKey of N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide?
The InChIKey is RBOZFEPINPAQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2S/c32-22(14-29-24(33)20-12-19-5-2-8-27-23(19)28-13-20)31-25-30-21(15-34-25)18-4-1-3-17(11-18)16-6-9-26-10-7-16/h1,3-4,6-7,9-13,15H,2,5,8,14H2,(H,27,28)(H,29,33)(H,30,31,32).
What are the key properties of N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide?
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 139386797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).