6-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one

C22H26N2O3 — CID 11485407

IUPAC6-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one
SMILESCOc1ccc(CNc2nc(C3CCCCC3)cc3c2C(=O)OCC3)cc1
InChIInChI=1S/C22H26N2O3/c1-26-18-9-7-15(8-10-18)14-23-21-20-17(11-12-27-22(20)25)13-19(24-21)16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12,14H2,1H3,(H,23,24)
InChIKeyQACNXJCANFFPMH-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.46
Rot. Bonds5

About 6-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one

6-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one (PubChem CID 11485407) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 6-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name6-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one
PubChem CID11485407
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name6-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one
SMILESCOc1ccc(CNc2nc(C3CCCCC3)cc3c2C(=O)OCC3)cc1
InChIInChI=1S/C22H26N2O3/c1-26-18-9-7-15(8-10-18)14-23-21-20-17(11-12-27-22(20)25)13-19(24-21)16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12,14H2,1H3,(H,23,24)
InChIKeyQACNXJCANFFPMH-UHFFFAOYSA-N
XLogP4.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one with MolForge

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Related Compounds

5-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one
CID 68973955
4-cyclohexyl-N-[(4-methoxyphenyl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 58865749
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
4-[[(6-cyclotridecyl-3-ethyl-2-pyridinyl)amino]methyl]benzoic acid
CID 123440480
N-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine
CID 135242208
4-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 23487701
4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439515
4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439514
5-N-cyclohexyl-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112942210
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
(3S,5R)-3-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-5-methyloxolan-2-one
CID 40917535
N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline
CID 79979621

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The IUPAC name of 6-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one (CID 11485407) is 6-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one.
What is the SMILES notation for 6-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The canonical SMILES for 6-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one is COc1ccc(CNc2nc(C3CCCCC3)cc3c2C(=O)OCC3)cc1.
What is the InChIKey of 6-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The InChIKey is QACNXJCANFFPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-18-9-7-15(8-10-18)14-23-21-20-17(11-12-27-22(20)25)13-19(24-21)16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12,14H2,1H3,(H,23,24).
What are the key properties of 6-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one?
6-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one has a molecular weight of 366.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one is sourced from PubChem (CID 11485407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).