N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)-6-thiophen-2-ylpyridine-3-carboxamide

C22H18N6O2S — CID 24987178

IUPACN-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)-6-thiophen-2-ylpyridine-3-carboxamide
SMILESO=C(NC1CCCn2c1nc(-c1ccncn1)cc2=O)c1ccc(-c2cccs2)nc1
InChIInChI=1S/C22H18N6O2S/c29-20-11-18(15-7-8-23-13-25-15)26-21-17(3-1-9-28(20)21)27-22(30)14-5-6-16(24-12-14)19-4-2-10-31-19/h2,4-8,10-13,17H,1,3,9H2,(H,27,30)
InChIKeyGETSAGCQSHAIOZ-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.09
Rot. Bonds4

About N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)-6-thiophen-2-ylpyridine-3-carboxamide

N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)-6-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 24987178) has the molecular formula C22H18N6O2S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)-6-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)-6-thiophen-2-ylpyridine-3-carboxamide
PubChem CID24987178
Molecular FormulaC22H18N6O2S
Molecular Weight430.49 g/mol
Exact Mass430.12
IUPAC NameN-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)-6-thiophen-2-ylpyridine-3-carboxamide
SMILESO=C(NC1CCCn2c1nc(-c1ccncn1)cc2=O)c1ccc(-c2cccs2)nc1
InChIInChI=1S/C22H18N6O2S/c29-20-11-18(15-7-8-23-13-25-15)26-21-17(3-1-9-28(20)21)27-22(30)14-5-6-16(24-12-14)19-4-2-10-31-19/h2,4-8,10-13,17H,1,3,9H2,(H,27,30)
InChIKeyGETSAGCQSHAIOZ-UHFFFAOYSA-N
XLogP3.09
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)-6-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)-6-thiophen-2-ylpyridine-3-carboxamide (CID 24987178) is N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)-6-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)-6-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)-6-thiophen-2-ylpyridine-3-carboxamide is O=C(NC1CCCn2c1nc(-c1ccncn1)cc2=O)c1ccc(-c2cccs2)nc1.
What is the InChIKey of N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)-6-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is GETSAGCQSHAIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2S/c29-20-11-18(15-7-8-23-13-25-15)26-21-17(3-1-9-28(20)21)27-22(30)14-5-6-16(24-12-14)19-4-2-10-31-19/h2,4-8,10-13,17H,1,3,9H2,(H,27,30).
What are the key properties of N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)-6-thiophen-2-ylpyridine-3-carboxamide?
N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)-6-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)-6-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 24987178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).