2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile

C14H14N4O — CID 114769703

IUPAC2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile
SMILESCOc1ncccc1CNc1cc(C#N)cc(C)n1
InChIInChI=1S/C14H14N4O/c1-10-6-11(8-15)7-13(18-10)17-9-12-4-3-5-16-14(12)19-2/h3-7H,9H2,1-2H3,(H,17,18)
InChIKeyQPOQGADECBNGKX-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.28
Rot. Bonds4

About 2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile

2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile (PubChem CID 114769703) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile
PubChem CID114769703
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile
SMILESCOc1ncccc1CNc1cc(C#N)cc(C)n1
InChIInChI=1S/C14H14N4O/c1-10-6-11(8-15)7-13(18-10)17-9-12-4-3-5-16-14(12)19-2/h3-7H,9H2,1-2H3,(H,17,18)
InChIKeyQPOQGADECBNGKX-UHFFFAOYSA-N
XLogP2.28
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114765939
N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine
CID 61312329
6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 104696689
3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile
CID 80515426
3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile
CID 103566901
6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine
CID 80647149
4-bromo-2-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 114905243
N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine
CID 55735453
2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 114765767
2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 60733884
4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 53184855
6-methyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrimidine-4-carbonitrile
CID 107552003

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile (CID 114769703) is 2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile is COc1ncccc1CNc1cc(C#N)cc(C)n1.
What is the InChIKey of 2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile?
The InChIKey is QPOQGADECBNGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10-6-11(8-15)7-13(18-10)17-9-12-4-3-5-16-14(12)19-2/h3-7H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile?
2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114769703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).