N-methyl-7H-pyrido[3,2-b]azepin-3-amine

C10H11N3 — CID 166126341

IUPACN-methyl-7H-pyrido[3,2-b]azepin-3-amine
SMILESCNc1cnc2c(c1)N=CCC=C2
InChIInChI=1S/C10H11N3/c1-11-8-6-10-9(13-7-8)4-2-3-5-12-10/h2,4-7,11H,3H2,1H3
InChIKeyHMZZZFRJFMFRRH-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.24
Rot. Bonds1

About N-methyl-7H-pyrido[3,2-b]azepin-3-amine

N-methyl-7H-pyrido[3,2-b]azepin-3-amine (PubChem CID 166126341) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is N-methyl-7H-pyrido[3,2-b]azepin-3-amine.

Molecular Properties

Compound NameN-methyl-7H-pyrido[3,2-b]azepin-3-amine
PubChem CID166126341
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC NameN-methyl-7H-pyrido[3,2-b]azepin-3-amine
SMILESCNc1cnc2c(c1)N=CCC=C2
InChIInChI=1S/C10H11N3/c1-11-8-6-10-9(13-7-8)4-2-3-5-12-10/h2,4-7,11H,3H2,1H3
InChIKeyHMZZZFRJFMFRRH-UHFFFAOYSA-N
XLogP2.24
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7H-pyrido[3,2-b]azepin-3-amine?
The IUPAC name of N-methyl-7H-pyrido[3,2-b]azepin-3-amine (CID 166126341) is N-methyl-7H-pyrido[3,2-b]azepin-3-amine.
What is the SMILES notation for N-methyl-7H-pyrido[3,2-b]azepin-3-amine?
The canonical SMILES for N-methyl-7H-pyrido[3,2-b]azepin-3-amine is CNc1cnc2c(c1)N=CCC=C2.
What is the InChIKey of N-methyl-7H-pyrido[3,2-b]azepin-3-amine?
The InChIKey is HMZZZFRJFMFRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-11-8-6-10-9(13-7-8)4-2-3-5-12-10/h2,4-7,11H,3H2,1H3.
What are the key properties of N-methyl-7H-pyrido[3,2-b]azepin-3-amine?
N-methyl-7H-pyrido[3,2-b]azepin-3-amine has a molecular weight of 173.22 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7H-pyrido[3,2-b]azepin-3-amine is sourced from PubChem (CID 166126341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).