5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile

C11H13N3 — CID 103736721

IUPAC5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile
SMILESCC1(CNc2ccc(C#N)nc2)CC1
InChIInChI=1S/C11H13N3/c1-11(4-5-11)8-14-10-3-2-9(6-12)13-7-10/h2-3,7,14H,4-5,8H2,1H3
InChIKeyUOPVTXZGOAPEBQ-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.17
Rot. Bonds3

About 5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile

5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile (PubChem CID 103736721) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile
PubChem CID103736721
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile
SMILESCC1(CNc2ccc(C#N)nc2)CC1
InChIInChI=1S/C11H13N3/c1-11(4-5-11)8-14-10-3-2-9(6-12)13-7-10/h2-3,7,14H,4-5,8H2,1H3
InChIKeyUOPVTXZGOAPEBQ-UHFFFAOYSA-N
XLogP2.17
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103989784
5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103837573
5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 113320652
5-[(1-benzylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 133395262
1-[[(6-cyano-3-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115487364
5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 79838660
5-[(4-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 114697217
6-cyano-N-[(1-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 115618854
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 79839884
5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile
CID 115487385
5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile
CID 114617316

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile (CID 103736721) is 5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile is CC1(CNc2ccc(C#N)nc2)CC1.
What is the InChIKey of 5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is UOPVTXZGOAPEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-11(4-5-11)8-14-10-3-2-9(6-12)13-7-10/h2-3,7,14H,4-5,8H2,1H3.
What are the key properties of 5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile?
5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 103736721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).