5-[4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carbonyl]pyridine-2-carbonitrile

C18H19N5O2 — CID 56659435

IUPAC5-[4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carbonyl]pyridine-2-carbonitrile
SMILESCOc1ccnc(NC2CCN(C(=O)c3ccc(C#N)nc3)CC2)c1
InChIInChI=1S/C18H19N5O2/c1-25-16-4-7-20-17(10-16)22-14-5-8-23(9-6-14)18(24)13-2-3-15(11-19)21-12-13/h2-4,7,10,12,14H,5-6,8-9H2,1H3,(H,20,22)
InChIKeyITVKOVUYAWRKNF-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.07
Rot. Bonds4

About 5-[4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carbonyl]pyridine-2-carbonitrile

5-[4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carbonyl]pyridine-2-carbonitrile (PubChem CID 56659435) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-[4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carbonyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carbonyl]pyridine-2-carbonitrile
PubChem CID56659435
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name5-[4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carbonyl]pyridine-2-carbonitrile
SMILESCOc1ccnc(NC2CCN(C(=O)c3ccc(C#N)nc3)CC2)c1
InChIInChI=1S/C18H19N5O2/c1-25-16-4-7-20-17(10-16)22-14-5-8-23(9-6-14)18(24)13-2-3-15(11-19)21-12-13/h2-4,7,10,12,14H,5-6,8-9H2,1H3,(H,20,22)
InChIKeyITVKOVUYAWRKNF-UHFFFAOYSA-N
XLogP2.07
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carbonyl]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carbonyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carbonyl]pyridine-2-carbonitrile (CID 56659435) is 5-[4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carbonyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carbonyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carbonyl]pyridine-2-carbonitrile is COc1ccnc(NC2CCN(C(=O)c3ccc(C#N)nc3)CC2)c1.
What is the InChIKey of 5-[4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carbonyl]pyridine-2-carbonitrile?
The InChIKey is ITVKOVUYAWRKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-25-16-4-7-20-17(10-16)22-14-5-8-23(9-6-14)18(24)13-2-3-15(11-19)21-12-13/h2-4,7,10,12,14H,5-6,8-9H2,1H3,(H,20,22).
What are the key properties of 5-[4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carbonyl]pyridine-2-carbonitrile?
5-[4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carbonyl]pyridine-2-carbonitrile has a molecular weight of 337.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carbonyl]pyridine-2-carbonitrile is sourced from PubChem (CID 56659435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).