1-methyl-2-(2-methyl-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[3,2-c]pyridin-6-amine

C19H22N4O — CID 164564724

IUPAC1-methyl-2-(2-methyl-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[3,2-c]pyridin-6-amine
SMILESCc1cc(-c2cc3cnc(NC4CCOCC4)cc3n2C)ccn1
InChIInChI=1S/C19H22N4O/c1-13-9-14(3-6-20-13)17-10-15-12-21-19(11-18(15)23(17)2)22-16-4-7-24-8-5-16/h3,6,9-12,16H,4-5,7-8H2,1-2H3,(H,21,22)
InChIKeyASIJFIYOHIBDPK-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.53
Rot. Bonds3

About 1-methyl-2-(2-methyl-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[3,2-c]pyridin-6-amine

1-methyl-2-(2-methyl-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 164564724) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-methyl-2-(2-methyl-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name1-methyl-2-(2-methyl-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[3,2-c]pyridin-6-amine
PubChem CID164564724
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-methyl-2-(2-methyl-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[3,2-c]pyridin-6-amine
SMILESCc1cc(-c2cc3cnc(NC4CCOCC4)cc3n2C)ccn1
InChIInChI=1S/C19H22N4O/c1-13-9-14(3-6-20-13)17-10-15-12-21-19(11-18(15)23(17)2)22-16-4-7-24-8-5-16/h3,6,9-12,16H,4-5,7-8H2,1-2H3,(H,21,22)
InChIKeyASIJFIYOHIBDPK-UHFFFAOYSA-N
XLogP3.53
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methyl-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of 1-methyl-2-(2-methyl-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[3,2-c]pyridin-6-amine (CID 164564724) is 1-methyl-2-(2-methyl-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for 1-methyl-2-(2-methyl-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for 1-methyl-2-(2-methyl-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[3,2-c]pyridin-6-amine is Cc1cc(-c2cc3cnc(NC4CCOCC4)cc3n2C)ccn1.
What is the InChIKey of 1-methyl-2-(2-methyl-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is ASIJFIYOHIBDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-9-14(3-6-20-13)17-10-15-12-21-19(11-18(15)23(17)2)22-16-4-7-24-8-5-16/h3,6,9-12,16H,4-5,7-8H2,1-2H3,(H,21,22).
What are the key properties of 1-methyl-2-(2-methyl-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[3,2-c]pyridin-6-amine?
1-methyl-2-(2-methyl-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 322.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methyl-4-pyridinyl)-N-(oxan-4-yl)pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 164564724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).