4-(benzylamino)-2-methoxypyridine-3-carbonitrile

C14H13N3O — CID 2839752

IUPAC4-(benzylamino)-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(NCc2ccccc2)c1C#N
InChIInChI=1S/C14H13N3O/c1-18-14-12(9-15)13(7-8-16-14)17-10-11-5-3-2-4-6-11/h2-8H,10H2,1H3,(H,16,17)
InChIKeyOHMPBXVHHJFEID-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.57
Rot. Bonds4

About 4-(benzylamino)-2-methoxypyridine-3-carbonitrile

4-(benzylamino)-2-methoxypyridine-3-carbonitrile (PubChem CID 2839752) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(benzylamino)-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(benzylamino)-2-methoxypyridine-3-carbonitrile
PubChem CID2839752
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-(benzylamino)-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(NCc2ccccc2)c1C#N
InChIInChI=1S/C14H13N3O/c1-18-14-12(9-15)13(7-8-16-14)17-10-11-5-3-2-4-6-11/h2-8H,10H2,1H3,(H,16,17)
InChIKeyOHMPBXVHHJFEID-UHFFFAOYSA-N
XLogP2.57
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Anilino-2-methoxynicotinonitrile
CID 657577
(4-Methoxy-phenyl)-pyridin-3-ylmethyl-amine
CID 742765
2-Methoxypyridin-4-amine
CID 280891
trans-(1S,2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
CID 135905415
(6-Methoxypyridin-3-yl)methanamine
CID 16227379
2-Methoxypyridine-3-carbonitrile
CID 252099
4-(Dimethylamino)-2-(4-fluorophenoxy)pyridine-3-carbonitrile
CID 1475660
2-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile
CID 1475661
N-methyl-1-[6-methyl-4-(2-methylphenoxy)-3-pyridinyl]methanamine
CID 44453093
alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile
CID 6164010
(4-Benzyloxy-benzyl)-pyridin-4-yl-amine
CID 9860803
4-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 766075

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 4-(benzylamino)-2-methoxypyridine-3-carbonitrile (CID 2839752) is 4-(benzylamino)-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-(benzylamino)-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 4-(benzylamino)-2-methoxypyridine-3-carbonitrile is COc1nccc(NCc2ccccc2)c1C#N.
What is the InChIKey of 4-(benzylamino)-2-methoxypyridine-3-carbonitrile?
The InChIKey is OHMPBXVHHJFEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-18-14-12(9-15)13(7-8-16-14)17-10-11-5-3-2-4-6-11/h2-8H,10H2,1H3,(H,16,17).
What are the key properties of 4-(benzylamino)-2-methoxypyridine-3-carbonitrile?
4-(benzylamino)-2-methoxypyridine-3-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 2839752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).