1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide

C14H18N4O2 — CID 119809530

IUPAC1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)Nc2cccc(N3CCCNC3=O)c2)CC1
InChIInChI=1S/C14H18N4O2/c15-14(5-6-14)12(19)17-10-3-1-4-11(9-10)18-8-2-7-16-13(18)20/h1,3-4,9H,2,5-8,15H2,(H,16,20)(H,17,19)
InChIKeyLKCQPIDZPMHLRV-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.04
Rot. Bonds3

About 1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide

1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 119809530) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID119809530
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)Nc2cccc(N3CCCNC3=O)c2)CC1
InChIInChI=1S/C14H18N4O2/c15-14(5-6-14)12(19)17-10-3-1-4-11(9-10)18-8-2-7-16-13(18)20/h1,3-4,9H,2,5-8,15H2,(H,16,20)(H,17,19)
InChIKeyLKCQPIDZPMHLRV-UHFFFAOYSA-N
XLogP1.04
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119692813
1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119290019
1-amino-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxamide
CID 60852641
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119857471
2-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]pentanamide;hydrochloride
CID 119338335
3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119809541
2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 120795442
5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide
CID 99811761
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119809570
2-methoxy-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylacetamide
CID 122160047

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide (CID 119809530) is 1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide is NC1(C(=O)Nc2cccc(N3CCCNC3=O)c2)CC1.
What is the InChIKey of 1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is LKCQPIDZPMHLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-14(5-6-14)12(19)17-10-3-1-4-11(9-10)18-8-2-7-16-13(18)20/h1,3-4,9H,2,5-8,15H2,(H,16,20)(H,17,19).
What are the key properties of 1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide?
1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119809530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).