1-[4-[methyl-[(6-methyl-3-pyridinyl)methyl]amino]phenyl]cyclopentane-1-carbonitrile

C20H23N3 — CID 171675109

IUPAC1-[4-[methyl-[(6-methyl-3-pyridinyl)methyl]amino]phenyl]cyclopentane-1-carbonitrile
SMILESCc1ccc(CN(C)c2ccc(C3(C#N)CCCC3)cc2)cn1
InChIInChI=1S/C20H23N3/c1-16-5-6-17(13-22-16)14-23(2)19-9-7-18(8-10-19)20(15-21)11-3-4-12-20/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeyXDFIVZVTEAFKTL-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.36
Rot. Bonds4

About 1-[4-[methyl-[(6-methyl-3-pyridinyl)methyl]amino]phenyl]cyclopentane-1-carbonitrile

1-[4-[methyl-[(6-methyl-3-pyridinyl)methyl]amino]phenyl]cyclopentane-1-carbonitrile (PubChem CID 171675109) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-[4-[methyl-[(6-methyl-3-pyridinyl)methyl]amino]phenyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[methyl-[(6-methyl-3-pyridinyl)methyl]amino]phenyl]cyclopentane-1-carbonitrile
PubChem CID171675109
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name1-[4-[methyl-[(6-methyl-3-pyridinyl)methyl]amino]phenyl]cyclopentane-1-carbonitrile
SMILESCc1ccc(CN(C)c2ccc(C3(C#N)CCCC3)cc2)cn1
InChIInChI=1S/C20H23N3/c1-16-5-6-17(13-22-16)14-23(2)19-9-7-18(8-10-19)20(15-21)11-3-4-12-20/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeyXDFIVZVTEAFKTL-UHFFFAOYSA-N
XLogP4.36
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[methyl-[(6-methyl-3-pyridinyl)methyl]amino]phenyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[4-[methyl-[(6-methyl-3-pyridinyl)methyl]amino]phenyl]cyclopentane-1-carbonitrile (CID 171675109) is 1-[4-[methyl-[(6-methyl-3-pyridinyl)methyl]amino]phenyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[4-[methyl-[(6-methyl-3-pyridinyl)methyl]amino]phenyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[4-[methyl-[(6-methyl-3-pyridinyl)methyl]amino]phenyl]cyclopentane-1-carbonitrile is Cc1ccc(CN(C)c2ccc(C3(C#N)CCCC3)cc2)cn1.
What is the InChIKey of 1-[4-[methyl-[(6-methyl-3-pyridinyl)methyl]amino]phenyl]cyclopentane-1-carbonitrile?
The InChIKey is XDFIVZVTEAFKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-16-5-6-17(13-22-16)14-23(2)19-9-7-18(8-10-19)20(15-21)11-3-4-12-20/h5-10,13H,3-4,11-12,14H2,1-2H3.
What are the key properties of 1-[4-[methyl-[(6-methyl-3-pyridinyl)methyl]amino]phenyl]cyclopentane-1-carbonitrile?
1-[4-[methyl-[(6-methyl-3-pyridinyl)methyl]amino]phenyl]cyclopentane-1-carbonitrile has a molecular weight of 305.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methyl-[(6-methyl-3-pyridinyl)methyl]amino]phenyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 171675109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).