1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one

C13H16N4O — CID 80579836

IUPAC1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one
SMILESNCc1cc(Cn2ccn(C3CC3)c2=O)ccn1
InChIInChI=1S/C13H16N4O/c14-8-11-7-10(3-4-15-11)9-16-5-6-17(13(16)18)12-1-2-12/h3-7,12H,1-2,8-9,14H2
InChIKeyFPUHOYRENZDPKF-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.89
Rot. Bonds4

About 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one

1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one (PubChem CID 80579836) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one
PubChem CID80579836
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one
SMILESNCc1cc(Cn2ccn(C3CC3)c2=O)ccn1
InChIInChI=1S/C13H16N4O/c14-8-11-7-10(3-4-15-11)9-16-5-6-17(13(16)18)12-1-2-12/h3-7,12H,1-2,8-9,14H2
InChIKeyFPUHOYRENZDPKF-UHFFFAOYSA-N
XLogP0.89
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Cyclohexyl-3-(pyridin-4-ylmethyl)urea
CID 888059
1-Cyclohexyl-3-(3-pyridylmethyl)urea
CID 650313
N-(tert-butyl)-N'-(3-pyridylmethyl)urea
CID 290474
1-Phenyl-3-(pyridin-4-ylmethyl)urea
CID 306456
N-cyclohexyl-N'-[4-(trifluoromethyl)-3-pyridyl]urea
CID 2726849
1-(4-Butylphenyl)-3-(pyridin-2-ylmethyl)urea
CID 6466017
1-(2-Ethylphenyl)-3-(pyridin-2-ylmethyl)urea
CID 6470944
N-phenyl-N'-[2-(4-pyridinyl)ethyl]urea
CID 975495
1-(6-Phenylpyridin-3-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 44611609
N-[[2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridin-4-yl]methyl]-2,2,2-trifluoroacetamide
CID 78426670
N-cyclopropyl-4-(4-phenyl-3-pyridinyl)piperazine-1-carboxamide
CID 118450590
(S)-5-Methyl-1-(2-(pyridin-3-yl)ethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 132493986

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one?
The IUPAC name of 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one (CID 80579836) is 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one.
What is the SMILES notation for 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one?
The canonical SMILES for 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one is NCc1cc(Cn2ccn(C3CC3)c2=O)ccn1.
What is the InChIKey of 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one?
The InChIKey is FPUHOYRENZDPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-8-11-7-10(3-4-15-11)9-16-5-6-17(13(16)18)12-1-2-12/h3-7,12H,1-2,8-9,14H2.
What are the key properties of 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one?
1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one has a molecular weight of 244.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one is sourced from PubChem (CID 80579836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).