N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4-oxochromene-2-carboxamide

C20H19FN4O3 — CID 91814095

IUPACN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCC1CCN(c2ncc(F)cn2)CC1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H19FN4O3/c21-14-11-23-20(24-12-14)25-7-5-13(6-8-25)10-22-19(27)18-9-16(26)15-3-1-2-4-17(15)28-18/h1-4,9,11-13H,5-8,10H2,(H,22,27)
InChIKeyBDRJDWNMZWWXMX-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.37
Rot. Bonds4

About N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4-oxochromene-2-carboxamide

N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4-oxochromene-2-carboxamide (PubChem CID 91814095) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4-oxochromene-2-carboxamide
PubChem CID91814095
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCC1CCN(c2ncc(F)cn2)CC1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H19FN4O3/c21-14-11-23-20(24-12-14)25-7-5-13(6-8-25)10-22-19(27)18-9-16(26)15-3-1-2-4-17(15)28-18/h1-4,9,11-13H,5-8,10H2,(H,22,27)
InChIKeyBDRJDWNMZWWXMX-UHFFFAOYSA-N
XLogP2.37
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Dsp-5336
CID 146430058
Sun 8399
CID 131339
1-[4-[4-Amino-5-(2-methoxybenzoyl)pyrimidin-2-ylamino]-piperidin-1-yl]ethanone
CID 9999155
4-({4-amino-5-[(2-methoxyphenyl)carbonyl]pyrimidin-2-yl}amino)-N-ethylpiperidine-1-carboxamide
CID 10023782
1-[4-({4-Amino-5-[(2-methoxyphenyl)carbonyl]pyrimidin-2-yl}amino)piperidin-1-yl]butan-1-one
CID 10069391
1-[4-[4-Amino-5-(2-ethoxybenzoyl)pyrimidin-2-ylamino]piperidin-1-yl]ethanone
CID 11975205
2-(1-Acetyl-piperidin-4-ylamino)-6-(2,4-difluorophenoxy)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 52936613
Ethanone, 1-[4-[[4-amino-5-(2-methoxybenzoyl)-2-pyrimidinyl]amino]-1-piperidinyl]-2-phenyl-
CID 56666479
(3E)-3-[[2-(dimethylamino)pyrimidin-5-yl]methylidene]chromen-4-one
CID 127050122
(2Z)-3-oxo-2-[[4-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]phenyl]methylidene]-1-benzofuran-7-carboxamide
CID 155536588
2-(difluoromethoxy)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 4789743
(2-ethoxyphenyl)-[(2S,3R)-2-methyl-3-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 86271498

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4-oxochromene-2-carboxamide (CID 91814095) is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4-oxochromene-2-carboxamide is O=C(NCC1CCN(c2ncc(F)cn2)CC1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4-oxochromene-2-carboxamide?
The InChIKey is BDRJDWNMZWWXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c21-14-11-23-20(24-12-14)25-7-5-13(6-8-25)10-22-19(27)18-9-16(26)15-3-1-2-4-17(15)28-18/h1-4,9,11-13H,5-8,10H2,(H,22,27).
What are the key properties of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4-oxochromene-2-carboxamide?
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4-oxochromene-2-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 91814095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).