5-(4,6-dimethyl-3-pyridinyl)-2-(oxan-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

C19H25N3O — CID 121369209

IUPAC5-(4,6-dimethyl-3-pyridinyl)-2-(oxan-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCc1cc(C)c(N2CCc3[nH]c(C4CCCOC4)cc3C2)cn1
InChIInChI=1S/C19H25N3O/c1-13-8-14(2)20-10-19(13)22-6-5-17-16(11-22)9-18(21-17)15-4-3-7-23-12-15/h8-10,15,21H,3-7,11-12H2,1-2H3
InChIKeyYPGRLOWBBBLMKL-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.48
Rot. Bonds2

About 5-(4,6-dimethyl-3-pyridinyl)-2-(oxan-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

5-(4,6-dimethyl-3-pyridinyl)-2-(oxan-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 121369209) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-(4,6-dimethyl-3-pyridinyl)-2-(oxan-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name5-(4,6-dimethyl-3-pyridinyl)-2-(oxan-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
PubChem CID121369209
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name5-(4,6-dimethyl-3-pyridinyl)-2-(oxan-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCc1cc(C)c(N2CCc3[nH]c(C4CCCOC4)cc3C2)cn1
InChIInChI=1S/C19H25N3O/c1-13-8-14(2)20-10-19(13)22-6-5-17-16(11-22)9-18(21-17)15-4-3-7-23-12-15/h8-10,15,21H,3-7,11-12H2,1-2H3
InChIKeyYPGRLOWBBBLMKL-UHFFFAOYSA-N
XLogP3.48
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4,6-dimethyl-3-pyridinyl)-2-(oxan-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine with MolForge

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Related Compounds

S-[4-[2-(4,6-dimethyl-3-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl]-3-methylphenyl]thiohydroxylamine
CID 144790024
2-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole
CID 82403214
5-(oxan-3-yl)-1H-pyrazol-3-amine
CID 63015423
4-(2,5-dimethyl-4-pyridinyl)morpholine;ethane
CID 177212902
3-methyl-5-(1,4-oxazepan-4-yl)isoquinolin-8-amine
CID 102713352
5-(oxan-3-yl)-1H-pyrazol-4-amine
CID 154928122
2,5-dimethyl-4-(1-methylpiperidin-4-yl)pyridine
CID 177212810
2,4-dimethyl-5-piperidin-3-ylpyridine
CID 83829631
8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid
CID 58574974
1,6-dimethyl-4-[2-[5-(oxan-3-yl)-2-pyridinyl]ethynyl]-2,7-naphthyridine
CID 177212817
[6-methyl-4-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
CID 81248036
5-(oxan-3-yl)-1H-pyrazole-3-carbaldehyde
CID 115092480

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dimethyl-3-pyridinyl)-2-(oxan-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 5-(4,6-dimethyl-3-pyridinyl)-2-(oxan-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (CID 121369209) is 5-(4,6-dimethyl-3-pyridinyl)-2-(oxan-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 5-(4,6-dimethyl-3-pyridinyl)-2-(oxan-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 5-(4,6-dimethyl-3-pyridinyl)-2-(oxan-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is Cc1cc(C)c(N2CCc3[nH]c(C4CCCOC4)cc3C2)cn1.
What is the InChIKey of 5-(4,6-dimethyl-3-pyridinyl)-2-(oxan-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The InChIKey is YPGRLOWBBBLMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13-8-14(2)20-10-19(13)22-6-5-17-16(11-22)9-18(21-17)15-4-3-7-23-12-15/h8-10,15,21H,3-7,11-12H2,1-2H3.
What are the key properties of 5-(4,6-dimethyl-3-pyridinyl)-2-(oxan-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
5-(4,6-dimethyl-3-pyridinyl)-2-(oxan-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 311.43 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dimethyl-3-pyridinyl)-2-(oxan-3-yl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 121369209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).