2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene

C30H38N4O3 — CID 145269532

IUPAC2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene
SMILESCc1ccc(COC2CCCC2)cc1C.NC(=O)c1cc(-c2ccc(CN3CC(O)C3)cc2)cnc1N
InChIInChI=1S/C16H18N4O2.C14H20O/c17-15-14(16(18)22)5-12(6-19-15)11-3-1-10(2-4-11)7-20-8-13(21)9-20;1-11-7-8-13(9-12(11)2)10-15-14-5-3-4-6-14/h1-6,13,21H,7-9H2,(H2,17,19)(H2,18,22);7-9,14H,3-6,10H2,1-2H3
InChIKeyCLFWTLLMBGWWFD-UHFFFAOYSA-N
MW502.66 g/mol
LogP4.37
Rot. Bonds7

About 2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene

2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene (PubChem CID 145269532) has the molecular formula C30H38N4O3 and a molecular weight of 502.66 g/mol. Its IUPAC name is 2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene
PubChem CID145269532
Molecular FormulaC30H38N4O3
Molecular Weight502.66 g/mol
Exact Mass502.29
IUPAC Name2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene
SMILESCc1ccc(COC2CCCC2)cc1C.NC(=O)c1cc(-c2ccc(CN3CC(O)C3)cc2)cnc1N
InChIInChI=1S/C16H18N4O2.C14H20O/c17-15-14(16(18)22)5-12(6-19-15)11-3-1-10(2-4-11)7-20-8-13(21)9-20;1-11-7-8-13(9-12(11)2)10-15-14-5-3-4-6-14/h1-6,13,21H,7-9H2,(H2,17,19)(H2,18,22);7-9,14H,3-6,10H2,1-2H3
InChIKeyCLFWTLLMBGWWFD-UHFFFAOYSA-N
XLogP4.37
TPSA114.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.66
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene
CID 145269484
2-amino-5-(3-formyl-5-hydroxyphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;methanol
CID 145269327
2-amino-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]-5-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 126644185
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine
CID 145269236
2-amino-5-[4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 146427026
2-amino-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]-5-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 126644660
2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;N,1-dimethylpiperidin-4-amine;methanamine
CID 145269301
2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene
CID 145269161
1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]piperidin-4-ol
CID 126674939
2-amino-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]-5-[4-(hydroxymethyl)-3-methylphenyl]pyridine-3-carboxamide
CID 126644947
2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide
CID 134202894
2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide
CID 126675699

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene?
The IUPAC name of 2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene (CID 145269532) is 2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene.
What is the SMILES notation for 2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene?
The canonical SMILES for 2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene is Cc1ccc(COC2CCCC2)cc1C.NC(=O)c1cc(-c2ccc(CN3CC(O)C3)cc2)cnc1N.
What is the InChIKey of 2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene?
The InChIKey is CLFWTLLMBGWWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2.C14H20O/c17-15-14(16(18)22)5-12(6-19-15)11-3-1-10(2-4-11)7-20-8-13(21)9-20;1-11-7-8-13(9-12(11)2)10-15-14-5-3-4-6-14/h1-6,13,21H,7-9H2,(H2,17,19)(H2,18,22);7-9,14H,3-6,10H2,1-2H3.
What are the key properties of 2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene?
2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene has a molecular weight of 502.66 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene is sourced from PubChem (CID 145269532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).