6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile

C12H15N3 — CID 103736862

IUPAC6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile
SMILESCCC1(CNc2cccc(C#N)n2)CC1
InChIInChI=1S/C12H15N3/c1-2-12(6-7-12)9-14-11-5-3-4-10(8-13)15-11/h3-5H,2,6-7,9H2,1H3,(H,14,15)
InChIKeyDPUBCMPTFJZCLR-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.56
Rot. Bonds4

About 6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile

6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile (PubChem CID 103736862) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile
PubChem CID103736862
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile
SMILESCCC1(CNc2cccc(C#N)n2)CC1
InChIInChI=1S/C12H15N3/c1-2-12(6-7-12)9-14-11-5-3-4-10(8-13)15-11/h3-5H,2,6-7,9H2,1H3,(H,14,15)
InChIKeyDPUBCMPTFJZCLR-UHFFFAOYSA-N
XLogP2.56
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile
CID 104917836
6-[(1-hydroxycyclopentyl)methylamino]pyridine-2-carbonitrile
CID 65110570
2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile
CID 103736838
6-[[1-(cyanomethyl)cyclopropyl]methylamino]pyridine-2-carboxylic acid
CID 122057114
N-[(1-ethylcyclopropyl)methyl]-5-methylpyridin-2-amine
CID 103736819
6-(3-cyanopropylamino)pyridine-2-carbonitrile
CID 130778540
4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 114102533
6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carbonitrile
CID 64588768
methyl 2-[(6-cyano-2-pyridinyl)amino]acetate
CID 64589954
6-(1-adamantylamino)pyridine-2-carbonitrile
CID 64590029
6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile
CID 126539207
6-(pent-4-yn-2-ylamino)pyridine-2-carbonitrile
CID 115658850

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile (CID 103736862) is 6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile is CCC1(CNc2cccc(C#N)n2)CC1.
What is the InChIKey of 6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is DPUBCMPTFJZCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-12(6-7-12)9-14-11-5-3-4-10(8-13)15-11/h3-5H,2,6-7,9H2,1H3,(H,14,15).
What are the key properties of 6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile?
6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 103736862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).