1-[6-[1-(ethylamino)propyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile

C15H16N6 — CID 115944749

IUPAC1-[6-[1-(ethylamino)propyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile
SMILESCCNC(CC)c1ccc(-n2cnc(C#N)c2C#N)cn1
InChIInChI=1S/C15H16N6/c1-3-12(18-4-2)13-6-5-11(9-19-13)21-10-20-14(7-16)15(21)8-17/h5-6,9-10,12,18H,3-4H2,1-2H3
InChIKeyLGYNWPKMJYCLRV-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.07
Rot. Bonds5

About 1-[6-[1-(ethylamino)propyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile

1-[6-[1-(ethylamino)propyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile (PubChem CID 115944749) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-[6-[1-(ethylamino)propyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[6-[1-(ethylamino)propyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile
PubChem CID115944749
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name1-[6-[1-(ethylamino)propyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile
SMILESCCNC(CC)c1ccc(-n2cnc(C#N)c2C#N)cn1
InChIInChI=1S/C15H16N6/c1-3-12(18-4-2)13-6-5-11(9-19-13)21-10-20-14(7-16)15(21)8-17/h5-6,9-10,12,18H,3-4H2,1-2H3
InChIKeyLGYNWPKMJYCLRV-UHFFFAOYSA-N
XLogP2.07
TPSA90.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile
CID 103940293
1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile
CID 103940288
1-[4-[(1R)-1-aminoethyl]phenyl]imidazole-4,5-dicarbonitrile
CID 113355659
1-[4-[(tert-butylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile
CID 115944857
N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine
CID 115939650
1-[6-[1-(ethylamino)propyl]-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102958934
6-[1-(ethylamino)propyl]-N,N-dimethylpyridin-3-amine
CID 112584103
1-[5-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]-N-ethylpropan-1-amine
CID 115939347
N-ethyl-1-[5-(3-methylmorpholin-4-yl)-2-pyridinyl]propan-1-amine
CID 112584190
N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine
CID 112584977
N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine
CID 112584544
N-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine
CID 115939561

Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(ethylamino)propyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[6-[1-(ethylamino)propyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile (CID 115944749) is 1-[6-[1-(ethylamino)propyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[6-[1-(ethylamino)propyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[6-[1-(ethylamino)propyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile is CCNC(CC)c1ccc(-n2cnc(C#N)c2C#N)cn1.
What is the InChIKey of 1-[6-[1-(ethylamino)propyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile?
The InChIKey is LGYNWPKMJYCLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-3-12(18-4-2)13-6-5-11(9-19-13)21-10-20-14(7-16)15(21)8-17/h5-6,9-10,12,18H,3-4H2,1-2H3.
What are the key properties of 1-[6-[1-(ethylamino)propyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile?
1-[6-[1-(ethylamino)propyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile has a molecular weight of 280.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(ethylamino)propyl]-3-pyridinyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 115944749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).