N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine;N-methyl-1H-pyrrolo[2,3-c]pyridin-2-amine

C16H18N6 — CID 155726928

IUPACN-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine;N-methyl-1H-pyrrolo[2,3-c]pyridin-2-amine
SMILESCNc1cc2ccncc2[nH]1.CNc1cc2ncccc2[nH]1
InChIInChI=1S/2C8H9N3/c1-9-8-4-6-2-3-10-5-7(6)11-8;1-9-8-5-7-6(11-8)3-2-4-10-7/h2*2-5,9,11H,1H3
InChIKeyAOQRVOPKVDXTRA-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.21
Rot. Bonds2

About N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine;N-methyl-1H-pyrrolo[2,3-c]pyridin-2-amine

N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine;N-methyl-1H-pyrrolo[2,3-c]pyridin-2-amine (PubChem CID 155726928) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine;N-methyl-1H-pyrrolo[2,3-c]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine;N-methyl-1H-pyrrolo[2,3-c]pyridin-2-amine
PubChem CID155726928
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC NameN-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine;N-methyl-1H-pyrrolo[2,3-c]pyridin-2-amine
SMILESCNc1cc2ccncc2[nH]1.CNc1cc2ncccc2[nH]1
InChIInChI=1S/2C8H9N3/c1-9-8-4-6-2-3-10-5-7(6)11-8;1-9-8-5-7-6(11-8)3-2-4-10-7/h2*2-5,9,11H,1H3
InChIKeyAOQRVOPKVDXTRA-UHFFFAOYSA-N
XLogP3.21
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine;N-methyl-1H-pyrrolo[2,3-c]pyridin-2-amine?
The IUPAC name of N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine;N-methyl-1H-pyrrolo[2,3-c]pyridin-2-amine (CID 155726928) is N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine;N-methyl-1H-pyrrolo[2,3-c]pyridin-2-amine.
What is the SMILES notation for N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine;N-methyl-1H-pyrrolo[2,3-c]pyridin-2-amine?
The canonical SMILES for N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine;N-methyl-1H-pyrrolo[2,3-c]pyridin-2-amine is CNc1cc2ccncc2[nH]1.CNc1cc2ncccc2[nH]1.
What is the InChIKey of N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine;N-methyl-1H-pyrrolo[2,3-c]pyridin-2-amine?
The InChIKey is AOQRVOPKVDXTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H9N3/c1-9-8-4-6-2-3-10-5-7(6)11-8;1-9-8-5-7-6(11-8)3-2-4-10-7/h2*2-5,9,11H,1H3.
What are the key properties of N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine;N-methyl-1H-pyrrolo[2,3-c]pyridin-2-amine?
N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine;N-methyl-1H-pyrrolo[2,3-c]pyridin-2-amine has a molecular weight of 294.36 g/mol, XLogP of 3.21, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine;N-methyl-1H-pyrrolo[2,3-c]pyridin-2-amine is sourced from PubChem (CID 155726928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).