5-oxo-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride

C17H20ClN5O2S — CID 155939438

IUPAC5-oxo-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cnc2c(c1)CNCC2)C1CC(=O)N(c2nccs2)C1
InChIInChI=1S/C17H19N5O2S.ClH/c23-15-6-13(10-22(15)17-19-3-4-25-17)16(24)21-8-11-5-12-9-18-2-1-14(12)20-7-11;/h3-5,7,13,18H,1-2,6,8-10H2,(H,21,24);1H
InChIKeyZAZLKIXFTZNHBT-UHFFFAOYSA-N
MW393.90 g/mol
LogP1.27
Rot. Bonds4

About 5-oxo-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride

5-oxo-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 155939438) has the molecular formula C17H20ClN5O2S and a molecular weight of 393.90 g/mol. Its IUPAC name is 5-oxo-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-oxo-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID155939438
Molecular FormulaC17H20ClN5O2S
Molecular Weight393.90 g/mol
Exact Mass393.10
IUPAC Name5-oxo-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cnc2c(c1)CNCC2)C1CC(=O)N(c2nccs2)C1
InChIInChI=1S/C17H19N5O2S.ClH/c23-15-6-13(10-22(15)17-19-3-4-25-17)16(24)21-8-11-5-12-9-18-2-1-14(12)20-7-11;/h3-5,7,13,18H,1-2,6,8-10H2,(H,21,24);1H
InChIKeyZAZLKIXFTZNHBT-UHFFFAOYSA-N
XLogP1.27
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 166192355
5-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155505771
(3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 126443586
N-[(5,6-dimethyl-3-pyridinyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 155504081
N-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155510039
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 154564256
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155497144
5-oxo-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 162631015
(4S)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 97018535
1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 119075033
N-(3H-benzimidazol-5-ylmethyl)-1-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155492188
5-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155917301

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 5-oxo-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 155939438) is 5-oxo-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-oxo-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-oxo-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NCc1cnc2c(c1)CNCC2)C1CC(=O)N(c2nccs2)C1.
What is the InChIKey of 5-oxo-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ZAZLKIXFTZNHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S.ClH/c23-15-6-13(10-22(15)17-19-3-4-25-17)16(24)21-8-11-5-12-9-18-2-1-14(12)20-7-11;/h3-5,7,13,18H,1-2,6,8-10H2,(H,21,24);1H.
What are the key properties of 5-oxo-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride?
5-oxo-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 393.90 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 155939438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).