N,N-dimethyl-1-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]methanamine

C19H22N4O — CID 164912862

IUPACN,N-dimethyl-1-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]methanamine
SMILESCc1c[nH]c2ncc(-c3cc4c(c(CN(C)C)n3)COCC4)cc12
InChIInChI=1S/C19H22N4O/c1-12-8-20-19-15(12)6-14(9-21-19)17-7-13-4-5-24-11-16(13)18(22-17)10-23(2)3/h6-9H,4-5,10-11H2,1-3H3,(H,20,21)
InChIKeyVLDMEHMOSCAHMT-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.07
Rot. Bonds3

About N,N-dimethyl-1-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]methanamine

N,N-dimethyl-1-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]methanamine (PubChem CID 164912862) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]methanamine
PubChem CID164912862
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN,N-dimethyl-1-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]methanamine
SMILESCc1c[nH]c2ncc(-c3cc4c(c(CN(C)C)n3)COCC4)cc12
InChIInChI=1S/C19H22N4O/c1-12-8-20-19-15(12)6-14(9-21-19)17-7-13-4-5-24-11-16(13)18(22-17)10-23(2)3/h6-9H,4-5,10-11H2,1-3H3,(H,20,21)
InChIKeyVLDMEHMOSCAHMT-UHFFFAOYSA-N
XLogP3.07
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-1-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]methanamine (CID 164912862) is N,N-dimethyl-1-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]methanamine is Cc1c[nH]c2ncc(-c3cc4c(c(CN(C)C)n3)COCC4)cc12.
What is the InChIKey of N,N-dimethyl-1-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]methanamine?
The InChIKey is VLDMEHMOSCAHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12-8-20-19-15(12)6-14(9-21-19)17-7-13-4-5-24-11-16(13)18(22-17)10-23(2)3/h6-9H,4-5,10-11H2,1-3H3,(H,20,21).
What are the key properties of N,N-dimethyl-1-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]methanamine?
N,N-dimethyl-1-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]methanamine has a molecular weight of 322.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]methanamine is sourced from PubChem (CID 164912862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).