1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine

C17H20N4 — CID 79263659

IUPAC1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
SMILESCc1cccc(Cn2cc(CC(C)N)c3cccnc32)n1
InChIInChI=1S/C17H20N4/c1-12(18)9-14-10-21(17-16(14)7-4-8-19-17)11-15-6-3-5-13(2)20-15/h3-8,10,12H,9,11,18H2,1-2H3
InChIKeyYALQRORUCFIKCH-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.68
Rot. Bonds4

About 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine

1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine (PubChem CID 79263659) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
PubChem CID79263659
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
SMILESCc1cccc(Cn2cc(CC(C)N)c3cccnc32)n1
InChIInChI=1S/C17H20N4/c1-12(18)9-14-10-21(17-16(14)7-4-8-19-17)11-15-6-3-5-13(2)20-15/h3-8,10,12H,9,11,18H2,1-2H3
InChIKeyYALQRORUCFIKCH-UHFFFAOYSA-N
XLogP2.68
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine?
The IUPAC name of 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine (CID 79263659) is 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine is Cc1cccc(Cn2cc(CC(C)N)c3cccnc32)n1.
What is the InChIKey of 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine?
The InChIKey is YALQRORUCFIKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-12(18)9-14-10-21(17-16(14)7-4-8-19-17)11-15-6-3-5-13(2)20-15/h3-8,10,12H,9,11,18H2,1-2H3.
What are the key properties of 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine?
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine has a molecular weight of 280.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine is sourced from PubChem (CID 79263659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).