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

C18H20N4O — CID 164564863

IUPAC2-(2-methyl-4-pyridinyl)-N-[(3S)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESCc1cc(-c2cc3cnc(N[C@H]4CCCOC4)cc3[nH]2)ccn1
InChIInChI=1S/C18H20N4O/c1-12-7-13(4-5-19-12)16-8-14-10-20-18(9-17(14)22-16)21-15-3-2-6-23-11-15/h4-5,7-10,15,22H,2-3,6,11H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyBHLJLLHYMOKTPO-HNNXBMFYSA-N
MW308.39 g/mol
LogP3.52
Rot. Bonds3

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

2-(2-methyl-4-pyridinyl)-N-[(3S)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 164564863) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-N-[(3S)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-N-[(3S)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine
PubChem CID164564863
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-(2-methyl-4-pyridinyl)-N-[(3S)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESCc1cc(-c2cc3cnc(N[C@H]4CCCOC4)cc3[nH]2)ccn1
InChIInChI=1S/C18H20N4O/c1-12-7-13(4-5-19-12)16-8-14-10-20-18(9-17(14)22-16)21-15-3-2-6-23-11-15/h4-5,7-10,15,22H,2-3,6,11H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyBHLJLLHYMOKTPO-HNNXBMFYSA-N
XLogP3.52
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-N-[(3S)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-N-[(3S)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine (CID 164564863) is 2-(2-methyl-4-pyridinyl)-N-[(3S)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-N-[(3S)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-N-[(3S)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine is Cc1cc(-c2cc3cnc(N[C@H]4CCCOC4)cc3[nH]2)ccn1.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-N-[(3S)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is BHLJLLHYMOKTPO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-7-13(4-5-19-12)16-8-14-10-20-18(9-17(14)22-16)21-15-3-2-6-23-11-15/h4-5,7-10,15,22H,2-3,6,11H2,1H3,(H,20,21)/t15-/m0/s1.
What are the key properties of 2-(2-methyl-4-pyridinyl)-N-[(3S)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine?
2-(2-methyl-4-pyridinyl)-N-[(3S)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 308.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-N-[(3S)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 164564863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).