3-ethyl-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

C22H29N5O2 — CID 126795905

IUPAC3-ethyl-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
SMILESCCC1CN(C)c2ccccc2CN1C(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C22H29N5O2/c1-3-19-16-25(2)20-7-5-4-6-17(20)15-27(19)22(28)24-18-8-9-21(23-14-18)26-10-12-29-13-11-26/h4-9,14,19H,3,10-13,15-16H2,1-2H3,(H,24,28)
InChIKeyVNTRGGURIIYDCL-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.18
Rot. Bonds3

About 3-ethyl-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

3-ethyl-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide (PubChem CID 126795905) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
PubChem CID126795905
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name3-ethyl-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
SMILESCCC1CN(C)c2ccccc2CN1C(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C22H29N5O2/c1-3-19-16-25(2)20-7-5-4-6-17(20)15-27(19)22(28)24-18-8-9-21(23-14-18)26-10-12-29-13-11-26/h4-9,14,19H,3,10-13,15-16H2,1-2H3,(H,24,28)
InChIKeyVNTRGGURIIYDCL-UHFFFAOYSA-N
XLogP3.18
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide with MolForge

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Related Compounds

(2S)-2-ethyl-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxamide
CID 94146426
(3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide
CID 95904886
(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(oxolan-2-yl)methanone
CID 71972375
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone
CID 71921913
(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119839706
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride
CID 120595013
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylbutanamide
CID 42940174
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
2-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 61329220
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
N-(6-morpholin-4-yl-3-pyridinyl)-2-(2-propoxyphenoxy)acetamide
CID 17458922

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
The IUPAC name of 3-ethyl-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide (CID 126795905) is 3-ethyl-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide.
What is the SMILES notation for 3-ethyl-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
The canonical SMILES for 3-ethyl-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide is CCC1CN(C)c2ccccc2CN1C(=O)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 3-ethyl-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
The InChIKey is VNTRGGURIIYDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-3-19-16-25(2)20-7-5-4-6-17(20)15-27(19)22(28)24-18-8-9-21(23-14-18)26-10-12-29-13-11-26/h4-9,14,19H,3,10-13,15-16H2,1-2H3,(H,24,28).
What are the key properties of 3-ethyl-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide?
3-ethyl-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide is sourced from PubChem (CID 126795905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).