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

C17H17N3 — CID 133395262

IUPAC5-[(1-benzylcyclopropyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCC2(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C17H17N3/c18-11-15-6-7-16(12-19-15)20-13-17(8-9-17)10-14-4-2-1-3-5-14/h1-7,12,20H,8-10,13H2
InChIKeyWQPNMHVWYXCWTD-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.39
Rot. Bonds5

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

5-[(1-benzylcyclopropyl)methylamino]pyridine-2-carbonitrile (PubChem CID 133395262) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[(1-benzylcyclopropyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-benzylcyclopropyl)methylamino]pyridine-2-carbonitrile
PubChem CID133395262
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name5-[(1-benzylcyclopropyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCC2(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C17H17N3/c18-11-15-6-7-16(12-19-15)20-13-17(8-9-17)10-14-4-2-1-3-5-14/h1-7,12,20H,8-10,13H2
InChIKeyWQPNMHVWYXCWTD-UHFFFAOYSA-N
XLogP3.39
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103837573
5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103736721
6-[(1-benzylcyclobutyl)methylamino]pyridazine-3-carbonitrile
CID 133419816
5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile
CID 133372771
5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103989784
1-[[(6-cyano-3-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115487364
5-[(1-ethylcyclopropyl)methylamino]pyrazine-2-carbonitrile
CID 104917836
5-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 133348791
5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 79838660
5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 122142016
5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile
CID 115487385
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362

Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzylcyclopropyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(1-benzylcyclopropyl)methylamino]pyridine-2-carbonitrile (CID 133395262) is 5-[(1-benzylcyclopropyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(1-benzylcyclopropyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(1-benzylcyclopropyl)methylamino]pyridine-2-carbonitrile is N#Cc1ccc(NCC2(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 5-[(1-benzylcyclopropyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is WQPNMHVWYXCWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c18-11-15-6-7-16(12-19-15)20-13-17(8-9-17)10-14-4-2-1-3-5-14/h1-7,12,20H,8-10,13H2.
What are the key properties of 5-[(1-benzylcyclopropyl)methylamino]pyridine-2-carbonitrile?
5-[(1-benzylcyclopropyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 263.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzylcyclopropyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133395262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).