2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile

C19H19N5 — CID 133411675

IUPAC2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile
SMILESCc1cc(NCc2cccc(-c3cnn(C)c3)c2)c(C#N)c(C)n1
InChIInChI=1S/C19H19N5/c1-13-7-19(18(9-20)14(2)23-13)21-10-15-5-4-6-16(8-15)17-11-22-24(3)12-17/h4-8,11-12H,10H2,1-3H3,(H,21,23)
InChIKeyOWIXKYAWARXHML-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.58
Rot. Bonds4

About 2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile

2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile (PubChem CID 133411675) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile
PubChem CID133411675
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile
SMILESCc1cc(NCc2cccc(-c3cnn(C)c3)c2)c(C#N)c(C)n1
InChIInChI=1S/C19H19N5/c1-13-7-19(18(9-20)14(2)23-13)21-10-15-5-4-6-16(8-15)17-11-22-24(3)12-17/h4-8,11-12H,10H2,1-3H3,(H,21,23)
InChIKeyOWIXKYAWARXHML-UHFFFAOYSA-N
XLogP3.58
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile
CID 81060441
5-chloro-2-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]benzonitrile
CID 133411666
2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile
CID 81060304
5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine
CID 133411690
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2,4-dinitroaniline
CID 133411766
N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 133396952
6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine
CID 133411679
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2,4-bis(methylsulfonyl)aniline
CID 133411678
6-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-(3-nitrophenyl)pyrimidin-4-amine
CID 133411695
2-chloro-6-[(1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 61361195
2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 133411504
[3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033657

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile (CID 133411675) is 2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile is Cc1cc(NCc2cccc(-c3cnn(C)c3)c2)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is OWIXKYAWARXHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-13-7-19(18(9-20)14(2)23-13)21-10-15-5-4-6-16(8-15)17-11-22-24(3)12-17/h4-8,11-12H,10H2,1-3H3,(H,21,23).
What are the key properties of 2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile?
2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 317.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133411675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).