1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide

C17H20N4O2 — CID 97466781

IUPAC1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide
SMILESCn1c2c(ccc1=O)CCN(C(=O)NCc1cccnc1)CC2
InChIInChI=1S/C17H20N4O2/c1-20-15-7-10-21(9-6-14(15)4-5-16(20)22)17(23)19-12-13-3-2-8-18-11-13/h2-5,8,11H,6-7,9-10,12H2,1H3,(H,19,23)
InChIKeyGDMFXSUOUMKFON-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.09
Rot. Bonds2

About 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide

1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide (PubChem CID 97466781) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide
PubChem CID97466781
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide
SMILESCn1c2c(ccc1=O)CCN(C(=O)NCc1cccnc1)CC2
InChIInChI=1S/C17H20N4O2/c1-20-15-7-10-21(9-6-14(15)4-5-16(20)22)17(23)19-12-13-3-2-8-18-11-13/h2-5,8,11H,6-7,9-10,12H2,1H3,(H,19,23)
InChIKeyGDMFXSUOUMKFON-UHFFFAOYSA-N
XLogP1.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108617
4-methylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47125297
4-(4-methylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108569
4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 23381452
3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 166233761
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide
CID 166204346
4-[4-(4-methylpiperidin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108615
4-benzylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 27516632
4-(2-bromophenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108620
N-(pyridin-3-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 84528908
2-[1-(pyridin-3-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64619006

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide (CID 97466781) is 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide is Cn1c2c(ccc1=O)CCN(C(=O)NCc1cccnc1)CC2.
What is the InChIKey of 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide?
The InChIKey is GDMFXSUOUMKFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20-15-7-10-21(9-6-14(15)4-5-16(20)22)17(23)19-12-13-3-2-8-18-11-13/h2-5,8,11H,6-7,9-10,12H2,1H3,(H,19,23).
What are the key properties of 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide?
1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide is sourced from PubChem (CID 97466781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).