N-cyclopropyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide

C9H15N3O — CID 91902386

IUPACN-cyclopropyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide
SMILESO=C(NC1CC1)C1=NCCCCN1
InChIInChI=1S/C9H15N3O/c13-9(12-7-3-4-7)8-10-5-1-2-6-11-8/h7H,1-6H2,(H,10,11)(H,12,13)
InChIKeyJEOYVUJQNQFBHH-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.05
Rot. Bonds2

About N-cyclopropyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide

N-cyclopropyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide (PubChem CID 91902386) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-cyclopropyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide
PubChem CID91902386
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-cyclopropyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide
SMILESO=C(NC1CC1)C1=NCCCCN1
InChIInChI=1S/C9H15N3O/c13-9(12-7-3-4-7)8-10-5-1-2-6-11-8/h7H,1-6H2,(H,10,11)(H,12,13)
InChIKeyJEOYVUJQNQFBHH-UHFFFAOYSA-N
XLogP0.05
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-iodophenyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide
CID 91902340
N-naphthalen-2-yl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide
CID 91902357
N-(3,4-dimethylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide
CID 91902044
1-[3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]carbamoylamino]cyclohexyl]urea
CID 176741998
3-(1,4,5,6-tetrahydropyrimidine-2-carbonylamino)benzoic acid
CID 91902040
N-(4-hydroxy-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide
CID 91902034
(4-benzylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)methanone
CID 91902394
N-(4-butylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide
CID 91902026
N-(4-hydroxycyclohexyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136878687
1-cyclopropyl-3-(piperidin-2-ylmethyl)urea
CID 62700229
N-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide
CID 3728354
N-cyclopropyl-5-piperidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102790751

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide (CID 91902386) is N-cyclopropyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide is O=C(NC1CC1)C1=NCCCCN1.
What is the InChIKey of N-cyclopropyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide?
The InChIKey is JEOYVUJQNQFBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c13-9(12-7-3-4-7)8-10-5-1-2-6-11-8/h7H,1-6H2,(H,10,11)(H,12,13).
What are the key properties of N-cyclopropyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide?
N-cyclopropyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide is sourced from PubChem (CID 91902386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).