cyclopropyl-[1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone

C18H20N4O — CID 97469065

IUPACcyclopropyl-[1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2ccncc2)c2ncccc2C1
InChIInChI=1S/C18H20N4O/c23-18(15-3-4-15)22-11-10-21(12-14-5-8-19-9-6-14)17-16(13-22)2-1-7-20-17/h1-2,5-9,15H,3-4,10-13H2
InChIKeyHRRVEJMJCXMUEQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.24
Rot. Bonds3

About cyclopropyl-[1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone

cyclopropyl-[1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone (PubChem CID 97469065) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is cyclopropyl-[1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone
PubChem CID97469065
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Namecyclopropyl-[1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone
SMILESO=C(C1CC1)N1CCN(Cc2ccncc2)c2ncccc2C1
InChIInChI=1S/C18H20N4O/c23-18(15-3-4-15)22-11-10-21(12-14-5-8-19-9-6-14)17-16(13-22)2-1-7-20-17/h1-2,5-9,15H,3-4,10-13H2
InChIKeyHRRVEJMJCXMUEQ-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone with MolForge

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Related Compounds

[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(oxan-4-yl)methanone
CID 97383629
4-(2-phenylethyl)-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97410231
(3-hydroxycyclobutyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone
CID 131683444
cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78798588
4-[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-4-oxobutanoic acid
CID 98780531
[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-[(2S)-oxolan-2-yl]methanone
CID 124798653
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 94283741
4-(oxan-4-yl)-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97469034
[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10271980
cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121184511
[1-(cyclopropylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97469010
[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone
CID 97369106

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone?
The IUPAC name of cyclopropyl-[1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone (CID 97469065) is cyclopropyl-[1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone?
The canonical SMILES for cyclopropyl-[1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone is O=C(C1CC1)N1CCN(Cc2ccncc2)c2ncccc2C1.
What is the InChIKey of cyclopropyl-[1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone?
The InChIKey is HRRVEJMJCXMUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18(15-3-4-15)22-11-10-21(12-14-5-8-19-9-6-14)17-16(13-22)2-1-7-20-17/h1-2,5-9,15H,3-4,10-13H2.
What are the key properties of cyclopropyl-[1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone?
cyclopropyl-[1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone has a molecular weight of 308.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone is sourced from PubChem (CID 97469065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).