1-[2-[(3-amino-4-pyridinyl)-methylamino]ethyl]imidazolidin-2-one

C11H17N5O — CID 61358443

IUPAC1-[2-[(3-amino-4-pyridinyl)-methylamino]ethyl]imidazolidin-2-one
SMILESCN(CCN1CCNC1=O)c1ccncc1N
InChIInChI=1S/C11H17N5O/c1-15(10-2-3-13-8-9(10)12)6-7-16-5-4-14-11(16)17/h2-3,8H,4-7,12H2,1H3,(H,14,17)
InChIKeyNPSSDUHVJADCHV-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.13
Rot. Bonds4

About 1-[2-[(3-amino-4-pyridinyl)-methylamino]ethyl]imidazolidin-2-one

1-[2-[(3-amino-4-pyridinyl)-methylamino]ethyl]imidazolidin-2-one (PubChem CID 61358443) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[2-[(3-amino-4-pyridinyl)-methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3-amino-4-pyridinyl)-methylamino]ethyl]imidazolidin-2-one
PubChem CID61358443
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-[2-[(3-amino-4-pyridinyl)-methylamino]ethyl]imidazolidin-2-one
SMILESCN(CCN1CCNC1=O)c1ccncc1N
InChIInChI=1S/C11H17N5O/c1-15(10-2-3-13-8-9(10)12)6-7-16-5-4-14-11(16)17/h2-3,8H,4-7,12H2,1H3,(H,14,17)
InChIKeyNPSSDUHVJADCHV-UHFFFAOYSA-N
XLogP0.13
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-amino-N-methylanilino)ethyl]imidazolidin-2-one
CID 61296213
1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one
CID 43462485
4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine
CID 61359414
4-N-(2-methoxyethyl)-4-N-methylpyridine-3,4-diamine
CID 61360000
4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile
CID 61358059
4-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]pyridine-3-carboxamide
CID 133454804
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine
CID 63275542
4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol
CID 79356009
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61438479
2-[(3-amino-4-pyridinyl)-methylamino]acetic acid
CID 62253485
4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine
CID 63262874
4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine
CID 116616296

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-amino-4-pyridinyl)-methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(3-amino-4-pyridinyl)-methylamino]ethyl]imidazolidin-2-one (CID 61358443) is 1-[2-[(3-amino-4-pyridinyl)-methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(3-amino-4-pyridinyl)-methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(3-amino-4-pyridinyl)-methylamino]ethyl]imidazolidin-2-one is CN(CCN1CCNC1=O)c1ccncc1N.
What is the InChIKey of 1-[2-[(3-amino-4-pyridinyl)-methylamino]ethyl]imidazolidin-2-one?
The InChIKey is NPSSDUHVJADCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-15(10-2-3-13-8-9(10)12)6-7-16-5-4-14-11(16)17/h2-3,8H,4-7,12H2,1H3,(H,14,17).
What are the key properties of 1-[2-[(3-amino-4-pyridinyl)-methylamino]ethyl]imidazolidin-2-one?
1-[2-[(3-amino-4-pyridinyl)-methylamino]ethyl]imidazolidin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-amino-4-pyridinyl)-methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 61358443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).