4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide

C19H18N4O3 — CID 122298602

IUPAC4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H18N4O3/c24-15-10-17(26-16-7-3-2-6-14(15)16)18(25)22-13-11-20-19(21-12-13)23-8-4-1-5-9-23/h2-3,6-7,10-12H,1,4-5,8-9H2,(H,22,25)
InChIKeyVTTOIUVDNXMZAA-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.83
Rot. Bonds3

About 4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide

4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide (PubChem CID 122298602) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide
PubChem CID122298602
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H18N4O3/c24-15-10-17(26-16-7-3-2-6-14(15)16)18(25)22-13-11-20-19(21-12-13)23-8-4-1-5-9-23/h2-3,6-7,10-12H,1,4-5,8-9H2,(H,22,25)
InChIKeyVTTOIUVDNXMZAA-UHFFFAOYSA-N
XLogP2.83
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide
CID 103789742
N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide
CID 17460362
N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide
CID 122298631
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-carboxamide
CID 71789966
N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide
CID 31855114
2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014761
2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one
CID 122334648
N-(2-chlorophenyl)-4-oxochromene-2-carboxamide
CID 892812
2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164645
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-4-oxochromene-2-carboxamide
CID 122293870
N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide
CID 47102362

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide (CID 122298602) is 4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide is O=C(Nc1cnc(N2CCCCC2)nc1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide?
The InChIKey is VTTOIUVDNXMZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-15-10-17(26-16-7-3-2-6-14(15)16)18(25)22-13-11-20-19(21-12-13)23-8-4-1-5-9-23/h2-3,6-7,10-12H,1,4-5,8-9H2,(H,22,25).
What are the key properties of 4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide?
4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide is sourced from PubChem (CID 122298602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).