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

C15H10Cl2N4O2S — CID 129384438

IUPAC2,3-dichloro-N-[(3R)-2-oxo-3,4-dihydro-1H-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(N[C@@H]1Cc2ncccc2NC1=O)c1cc2sc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C15H10Cl2N4O2S/c16-11-12-10(24-13(11)17)5-9(19-12)15(23)21-8-4-7-6(20-14(8)22)2-1-3-18-7/h1-3,5,8,19H,4H2,(H,20,22)(H,21,23)/t8-/m1/s1
InChIKeyKBWNHAXYFCPDTQ-MRVPVSSYSA-N
MW381.24 g/mol
LogP3.22
Rot. Bonds2

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

2,3-dichloro-N-[(3R)-2-oxo-3,4-dihydro-1H-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 129384438) has the molecular formula C15H10Cl2N4O2S and a molecular weight of 381.24 g/mol. Its IUPAC name is 2,3-dichloro-N-[(3R)-2-oxo-3,4-dihydro-1H-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(3R)-2-oxo-3,4-dihydro-1H-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID129384438
Molecular FormulaC15H10Cl2N4O2S
Molecular Weight381.24 g/mol
Exact Mass379.99
IUPAC Name2,3-dichloro-N-[(3R)-2-oxo-3,4-dihydro-1H-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(N[C@@H]1Cc2ncccc2NC1=O)c1cc2sc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C15H10Cl2N4O2S/c16-11-12-10(24-13(11)17)5-9(19-12)15(23)21-8-4-7-6(20-14(8)22)2-1-3-18-7/h1-3,5,8,19H,4H2,(H,20,22)(H,21,23)/t8-/m1/s1
InChIKeyKBWNHAXYFCPDTQ-MRVPVSSYSA-N
XLogP3.22
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.24
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(3R)-2-oxo-3,4-dihydro-1H-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 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) is 2,3-dichloro-N-[(3R)-2-oxo-3,4-dihydro-1H-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2,3-dichloro-N-[(3R)-2-oxo-3,4-dihydro-1H-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2,3-dichloro-N-[(3R)-2-oxo-3,4-dihydro-1H-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is O=C(N[C@@H]1Cc2ncccc2NC1=O)c1cc2sc(Cl)c(Cl)c2[nH]1.
What is the InChIKey of 2,3-dichloro-N-[(3R)-2-oxo-3,4-dihydro-1H-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is KBWNHAXYFCPDTQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O2S/c16-11-12-10(24-13(11)17)5-9(19-12)15(23)21-8-4-7-6(20-14(8)22)2-1-3-18-7/h1-3,5,8,19H,4H2,(H,20,22)(H,21,23)/t8-/m1/s1.
What are the key properties of 2,3-dichloro-N-[(3R)-2-oxo-3,4-dihydro-1H-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
2,3-dichloro-N-[(3R)-2-oxo-3,4-dihydro-1H-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 381.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(3R)-2-oxo-3,4-dihydro-1H-1,5-naphthyridin-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 129384438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).