N-(oxan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine

C15H21N3O — CID 153085241

IUPACN-(oxan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine
SMILESCC(C)C1=NCc2ccnc(NC3CCOCC3)c21
InChIInChI=1S/C15H21N3O/c1-10(2)14-13-11(9-17-14)3-6-16-15(13)18-12-4-7-19-8-5-12/h3,6,10,12H,4-5,7-9H2,1-2H3,(H,16,18)
InChIKeyVOBRUIVWAYHWCN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.63
Rot. Bonds3

About N-(oxan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine

N-(oxan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine (PubChem CID 153085241) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine
PubChem CID153085241
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(oxan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine
SMILESCC(C)C1=NCc2ccnc(NC3CCOCC3)c21
InChIInChI=1S/C15H21N3O/c1-10(2)14-13-11(9-17-14)3-6-16-15(13)18-12-4-7-19-8-5-12/h3,6,10,12H,4-5,7-9H2,1-2H3,(H,16,18)
InChIKeyVOBRUIVWAYHWCN-UHFFFAOYSA-N
XLogP2.63
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(oxan-4-yl)pyridine-2,3-diamine
CID 43609746
7-methyl-N-(oxepan-4-yl)isoquinolin-1-amine
CID 167907426
3-ethynyl-N-(oxan-4-yl)pyridin-2-amine
CID 87270673
2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine
CID 118322992
N-(3-propan-2-ylphenyl)oxepan-4-amine
CID 65076670
N-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine
CID 62903541
4-(oxan-4-ylamino)pyridine-2-carbonitrile
CID 62924649
N-(oxonan-4-yl)pyridin-4-amine
CID 57144973
4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 80790022
N-(oxan-4-yl)pyrimidin-2-amine;propane
CID 144986361
4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine
CID 43616833
3-bromo-4-methyl-2-N-(oxan-4-yl)pyridine-2,5-diamine
CID 104506459

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine?
The IUPAC name of N-(oxan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine (CID 153085241) is N-(oxan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine.
What is the SMILES notation for N-(oxan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine?
The canonical SMILES for N-(oxan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine is CC(C)C1=NCc2ccnc(NC3CCOCC3)c21.
What is the InChIKey of N-(oxan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine?
The InChIKey is VOBRUIVWAYHWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(2)14-13-11(9-17-14)3-6-16-15(13)18-12-4-7-19-8-5-12/h3,6,10,12H,4-5,7-9H2,1-2H3,(H,16,18).
What are the key properties of N-(oxan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine?
N-(oxan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine has a molecular weight of 259.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-3-propan-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine is sourced from PubChem (CID 153085241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).