N-methyl-N-(2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-2-yl)acetamide

C12H17N3O — CID 69028354

IUPACN-methyl-N-(2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-2-yl)acetamide
SMILESCC(=O)N(C)C1CCC2=C(C=CN=CC2)N1
InChIInChI=1S/C12H17N3O/c1-9(16)15(2)12-4-3-10-5-7-13-8-6-11(10)14-12/h6-8,12,14H,3-5H2,1-2H3
InChIKeyIKJYOLVSAVBGCA-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.42
Rot. Bonds1

About N-methyl-N-(2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-2-yl)acetamide

N-methyl-N-(2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-2-yl)acetamide (PubChem CID 69028354) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-methyl-N-(2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-2-yl)acetamide
PubChem CID69028354
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-methyl-N-(2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-2-yl)acetamide
SMILESCC(=O)N(C)C1CCC2=C(C=CN=CC2)N1
InChIInChI=1S/C12H17N3O/c1-9(16)15(2)12-4-3-10-5-7-13-8-6-11(10)14-12/h6-8,12,14H,3-5H2,1-2H3
InChIKeyIKJYOLVSAVBGCA-UHFFFAOYSA-N
XLogP1.42
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-2-yl)acetamide?
The IUPAC name of N-methyl-N-(2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-2-yl)acetamide (CID 69028354) is N-methyl-N-(2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-2-yl)acetamide.
What is the SMILES notation for N-methyl-N-(2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-2-yl)acetamide?
The canonical SMILES for N-methyl-N-(2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-2-yl)acetamide is CC(=O)N(C)C1CCC2=C(C=CN=CC2)N1.
What is the InChIKey of N-methyl-N-(2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-2-yl)acetamide?
The InChIKey is IKJYOLVSAVBGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(16)15(2)12-4-3-10-5-7-13-8-6-11(10)14-12/h6-8,12,14H,3-5H2,1-2H3.
What are the key properties of N-methyl-N-(2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-2-yl)acetamide?
N-methyl-N-(2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-2-yl)acetamide has a molecular weight of 219.29 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepin-2-yl)acetamide is sourced from PubChem (CID 69028354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).