N-[3-oxo-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]thiophene-2-carboxamide

C19H15N5O2S2 — CID 167866311

IUPACN-[3-oxo-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C19H15N5O2S2/c25-15(6-9-21-18(26)14-5-3-10-27-14)22-16-12-7-11-28-19(12)24-17(23-16)13-4-1-2-8-20-13/h1-5,7-8,10-11H,6,9H2,(H,21,26)(H,22,23,24,25)
InChIKeyUHCPMSQYKNGTGF-UHFFFAOYSA-N
MW409.50 g/mol
LogP3.57
Rot. Bonds6

About N-[3-oxo-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]thiophene-2-carboxamide

N-[3-oxo-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]thiophene-2-carboxamide (PubChem CID 167866311) has the molecular formula C19H15N5O2S2 and a molecular weight of 409.50 g/mol. Its IUPAC name is N-[3-oxo-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]thiophene-2-carboxamide
PubChem CID167866311
Molecular FormulaC19H15N5O2S2
Molecular Weight409.50 g/mol
Exact Mass409.07
IUPAC NameN-[3-oxo-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C19H15N5O2S2/c25-15(6-9-21-18(26)14-5-3-10-27-14)22-16-12-7-11-28-19(12)24-17(23-16)13-4-1-2-8-20-13/h1-5,7-8,10-11H,6,9H2,(H,21,26)(H,22,23,24,25)
InChIKeyUHCPMSQYKNGTGF-UHFFFAOYSA-N
XLogP3.57
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
CID 51266033
3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 166320094
N-cyclopropyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 166245959
6-(cyclopropylamino)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)pyridine-3-carboxamide
CID 167992083
N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 78927721
(2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide
CID 138020227
N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
CID 108542652
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 86266129
N-[3-[2-(1,3-benzothiazol-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 55368191
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide
CID 47037132

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]thiophene-2-carboxamide (CID 167866311) is N-[3-oxo-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]thiophene-2-carboxamide is O=C(CCNC(=O)c1cccs1)Nc1nc(-c2ccccn2)nc2sccc12.
What is the InChIKey of N-[3-oxo-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]thiophene-2-carboxamide?
The InChIKey is UHCPMSQYKNGTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S2/c25-15(6-9-21-18(26)14-5-3-10-27-14)22-16-12-7-11-28-19(12)24-17(23-16)13-4-1-2-8-20-13/h1-5,7-8,10-11H,6,9H2,(H,21,26)(H,22,23,24,25).
What are the key properties of N-[3-oxo-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]thiophene-2-carboxamide?
N-[3-oxo-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]thiophene-2-carboxamide has a molecular weight of 409.50 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 167866311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).