N-[3-[[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]methyl]phenyl]cyclohexanecarboxamide

C22H24N4O2 — CID 56799346

IUPACN-[3-[[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]methyl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(CNc2cc(=O)n3ccccc3n2)c1)C1CCCCC1
InChIInChI=1S/C22H24N4O2/c27-21-14-19(25-20-11-4-5-12-26(20)21)23-15-16-7-6-10-18(13-16)24-22(28)17-8-2-1-3-9-17/h4-7,10-14,17,23H,1-3,8-9,15H2,(H,24,28)
InChIKeyVSWXZJKQFMTACM-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.83
Rot. Bonds5

About N-[3-[[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]methyl]phenyl]cyclohexanecarboxamide

N-[3-[[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]methyl]phenyl]cyclohexanecarboxamide (PubChem CID 56799346) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[3-[[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]methyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]methyl]phenyl]cyclohexanecarboxamide
PubChem CID56799346
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[3-[[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]methyl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(CNc2cc(=O)n3ccccc3n2)c1)C1CCCCC1
InChIInChI=1S/C22H24N4O2/c27-21-14-19(25-20-11-4-5-12-26(20)21)23-15-16-7-6-10-18(13-16)24-22(28)17-8-2-1-3-9-17/h4-7,10-14,17,23H,1-3,8-9,15H2,(H,24,28)
InChIKeyVSWXZJKQFMTACM-UHFFFAOYSA-N
XLogP3.83
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-benzylimidazo[1,2-a]pyridin-3-yl)cyclobutanecarboxamide
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CID 39575427
N-[3-[[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]phenyl]cyclohexanecarboxamide
CID 137261469
N-[3-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]cycloheptanecarboxamide
CID 21067621
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CID 133310369
N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 133396952
2-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pyrido[1,2-a]pyrimidin-4-one
CID 55828946
N-[3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133335550
N-[3-[[(3,7-dimethyl-2,6-dioxopurin-8-yl)amino]methyl]phenyl]cyclopentanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]methyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]methyl]phenyl]cyclohexanecarboxamide (CID 56799346) is N-[3-[[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]methyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]methyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]methyl]phenyl]cyclohexanecarboxamide is O=C(Nc1cccc(CNc2cc(=O)n3ccccc3n2)c1)C1CCCCC1.
What is the InChIKey of N-[3-[[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]methyl]phenyl]cyclohexanecarboxamide?
The InChIKey is VSWXZJKQFMTACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21-14-19(25-20-11-4-5-12-26(20)21)23-15-16-7-6-10-18(13-16)24-22(28)17-8-2-1-3-9-17/h4-7,10-14,17,23H,1-3,8-9,15H2,(H,24,28).
What are the key properties of N-[3-[[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]methyl]phenyl]cyclohexanecarboxamide?
N-[3-[[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]methyl]phenyl]cyclohexanecarboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]methyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 56799346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).