N-methyl-2-(2-methylpropoxy)-4-oxo-N-(2-pyridin-2-ylethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide

C23H31N3O3 — CID 91914331

IUPACN-methyl-2-(2-methylpropoxy)-4-oxo-N-(2-pyridin-2-ylethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
SMILESCC(C)COc1cc(=O)n2c(c1C(=O)N(C)CCc1ccccn1)CCCCC2
InChIInChI=1S/C23H31N3O3/c1-17(2)16-29-20-15-21(27)26-13-8-4-5-10-19(26)22(20)23(28)25(3)14-11-18-9-6-7-12-24-18/h6-7,9,12,15,17H,4-5,8,10-11,13-14,16H2,1-3H3
InChIKeyICEZPUJSAILBLX-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.32
Rot. Bonds7

About N-methyl-2-(2-methylpropoxy)-4-oxo-N-(2-pyridin-2-ylethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide

N-methyl-2-(2-methylpropoxy)-4-oxo-N-(2-pyridin-2-ylethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide (PubChem CID 91914331) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropoxy)-4-oxo-N-(2-pyridin-2-ylethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropoxy)-4-oxo-N-(2-pyridin-2-ylethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
PubChem CID91914331
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-methyl-2-(2-methylpropoxy)-4-oxo-N-(2-pyridin-2-ylethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
SMILESCC(C)COc1cc(=O)n2c(c1C(=O)N(C)CCc1ccccn1)CCCCC2
InChIInChI=1S/C23H31N3O3/c1-17(2)16-29-20-15-21(27)26-13-8-4-5-10-19(26)22(20)23(28)25(3)14-11-18-9-6-7-12-24-18/h6-7,9,12,15,17H,4-5,8,10-11,13-14,16H2,1-3H3
InChIKeyICEZPUJSAILBLX-UHFFFAOYSA-N
XLogP3.32
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-(2-methylpropoxy)-4-oxo-N-(2-pyridin-2-ylethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide with MolForge

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Related Compounds

N-[(3-fluorophenyl)methyl]-9-methoxy-7-oxo-3-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 28388589
2-ethoxy-4-oxo-N-(2-pyridylmethyl)-4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine-1-carboxamide
CID 91914246
2-Ethoxy-N-ethyl-4-oxo-N-[(pyridin-4-YL)methyl]-4H,6H,7H,8H,9H,10H-pyrido[1,2-A]azepine-1-carboxamide
CID 91914321
2-(2-Methylpropoxy)-1-[4-(pyridin-2-YL)piperazine-1-carbonyl]-4H,6H,7H,8H,9H,10H-pyrido[1,2-A]azepin-4-one
CID 91904547
2-(Cyclopropylmethoxy)-N-ethyl-4-oxo-N-[(pyridin-4-YL)methyl]-4H,6H,7H,8H,9H,10H-pyrido[1,2-A]azepine-1-carboxamide
CID 91904568
2-(Cyclopropylmethoxy)-4-oxo-N-[(pyridin-2-YL)methyl]-4H,6H,7H,8H,9H,10H-pyrido[1,2-A]azepine-1-carboxamide
CID 91904569
2-(Cyclopropylmethoxy)-4-oxo-N-[(pyridin-3-YL)methyl]-4H,6H,7H,8H,9H,10H-pyrido[1,2-A]azepine-1-carboxamide
CID 91904570
2-(Cyclopropylmethoxy)-4-oxo-N-[(pyridin-4-YL)methyl]-4H,6H,7H,8H,9H,10H-pyrido[1,2-A]azepine-1-carboxamide
CID 91904576
9-(cyclopropylmethoxy)-7-oxo-N-(3-pyridylmethyl)-1,4,5,7-tetrahydro-2H-pyrido[1,2-d][1,4]oxazepine-10-carboxamide
CID 91912843
2-ethoxy-4-oxo-N-(3-pyridylmethyl)-4,6,7,8,9,10-hexahydropyrido[1,2-a]azepine-1-carboxamide
CID 91914244
2-(Cyclopropylmethoxy)-N-methyl-4-oxo-N-[(pyridin-3-YL)methyl]-4H,6H,7H,8H,9H,10H-pyrido[1,2-A]azepine-1-carboxamide
CID 91914341
(1S*,5R*)-6-(3-ethoxypropanoyl)-3-(2-pyridinylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133110810

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropoxy)-4-oxo-N-(2-pyridin-2-ylethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
The IUPAC name of N-methyl-2-(2-methylpropoxy)-4-oxo-N-(2-pyridin-2-ylethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide (CID 91914331) is N-methyl-2-(2-methylpropoxy)-4-oxo-N-(2-pyridin-2-ylethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide.
What is the SMILES notation for N-methyl-2-(2-methylpropoxy)-4-oxo-N-(2-pyridin-2-ylethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
The canonical SMILES for N-methyl-2-(2-methylpropoxy)-4-oxo-N-(2-pyridin-2-ylethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide is CC(C)COc1cc(=O)n2c(c1C(=O)N(C)CCc1ccccn1)CCCCC2.
What is the InChIKey of N-methyl-2-(2-methylpropoxy)-4-oxo-N-(2-pyridin-2-ylethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
The InChIKey is ICEZPUJSAILBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-17(2)16-29-20-15-21(27)26-13-8-4-5-10-19(26)22(20)23(28)25(3)14-11-18-9-6-7-12-24-18/h6-7,9,12,15,17H,4-5,8,10-11,13-14,16H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylpropoxy)-4-oxo-N-(2-pyridin-2-ylethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
N-methyl-2-(2-methylpropoxy)-4-oxo-N-(2-pyridin-2-ylethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropoxy)-4-oxo-N-(2-pyridin-2-ylethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide is sourced from PubChem (CID 91914331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).