2,3-dichloro-N-[1-(3-hydroxypropyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

C18H16Cl2N4O3S — CID 143009822

IUPAC2,3-dichloro-N-[1-(3-hydroxypropyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC1Cc2ncccc2N(CCCO)C1=O)c1cc2sc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C18H16Cl2N4O3S/c19-14-15-13(28-16(14)20)8-10(22-15)17(26)23-11-7-9-12(3-1-4-21-9)24(18(11)27)5-2-6-25/h1,3-4,8,11,22,25H,2,5-7H2,(H,23,26)
InChIKeyLKVQEUGSRURULY-UHFFFAOYSA-N
MW439.32 g/mol
LogP3.00
Rot. Bonds5

About 2,3-dichloro-N-[1-(3-hydroxypropyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

2,3-dichloro-N-[1-(3-hydroxypropyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 143009822) has the molecular formula C18H16Cl2N4O3S and a molecular weight of 439.32 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-(3-hydroxypropyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-(3-hydroxypropyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID143009822
Molecular FormulaC18H16Cl2N4O3S
Molecular Weight439.32 g/mol
Exact Mass438.03
IUPAC Name2,3-dichloro-N-[1-(3-hydroxypropyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC1Cc2ncccc2N(CCCO)C1=O)c1cc2sc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C18H16Cl2N4O3S/c19-14-15-13(28-16(14)20)8-10(22-15)17(26)23-11-7-9-12(3-1-4-21-9)24(18(11)27)5-2-6-25/h1,3-4,8,11,22,25H,2,5-7H2,(H,23,26)
InChIKeyLKVQEUGSRURULY-UHFFFAOYSA-N
XLogP3.00
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dichloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 143009823
ethyl 2-[3-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl]acetate
CID 143009825
2,3-dichloro-N-[(3R)-2-oxo-3,4-dihydro-1H-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 129384438
2-chloro-N-[1-(2-hydroxyethyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 143009843
methyl 2-[3-[2-(2,3-dichloro-4H-thieno[3,2-b]pyrrol-5-yl)-2-oxoethyl]-2-oxo-3,4-dihydroquinolin-1-yl]acetate
CID 58721823
2,3-dichloro-N-[(1S,2S)-1-(pyridine-3-carbonylamino)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 10174054
2-cyclopropyl-2-[(1R,2R)-2-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 90840020
2-[[(1R,2R)-2-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]sulfanyl]propanoic acid
CID 69238485
acetic acid;2,3-dichloro-N-[(1R)-1-(5-methoxypentan-2-yl)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 143271486
5-chloro-N-[2-oxo-1-[2-oxo-2-[(2-oxo-1H-pyrimidin-6-yl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
CID 10289029
2,3-dichloro-N-[2-(2-methoxyphenoxy)ethyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 10156899
2,3-dichloro-N-[(1R)-1-(1-ethoxypentan-3-yl)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide;formic acid
CID 143271483

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-(3-hydroxypropyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2,3-dichloro-N-[1-(3-hydroxypropyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 143009822) is 2,3-dichloro-N-[1-(3-hydroxypropyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2,3-dichloro-N-[1-(3-hydroxypropyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2,3-dichloro-N-[1-(3-hydroxypropyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is O=C(NC1Cc2ncccc2N(CCCO)C1=O)c1cc2sc(Cl)c(Cl)c2[nH]1.
What is the InChIKey of 2,3-dichloro-N-[1-(3-hydroxypropyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is LKVQEUGSRURULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O3S/c19-14-15-13(28-16(14)20)8-10(22-15)17(26)23-11-7-9-12(3-1-4-21-9)24(18(11)27)5-2-6-25/h1,3-4,8,11,22,25H,2,5-7H2,(H,23,26).
What are the key properties of 2,3-dichloro-N-[1-(3-hydroxypropyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
2,3-dichloro-N-[1-(3-hydroxypropyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 439.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-(3-hydroxypropyl)-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 143009822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).