2-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile

C18H14N4O — CID 164912147

IUPAC2-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)ccnc1Nc1cc(CO)ccn1
InChIInChI=1S/C18H14N4O/c19-11-16-15(14-4-2-1-3-5-14)7-9-21-18(16)22-17-10-13(12-23)6-8-20-17/h1-10,23H,12H2,(H,20,21,22)
InChIKeyLJRJNHCDJXMMDP-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.25
Rot. Bonds4

About 2-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile

2-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile (PubChem CID 164912147) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile
PubChem CID164912147
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)ccnc1Nc1cc(CO)ccn1
InChIInChI=1S/C18H14N4O/c19-11-16-15(14-4-2-1-3-5-14)7-9-21-18(16)22-17-10-13(12-23)6-8-20-17/h1-10,23H,12H2,(H,20,21,22)
InChIKeyLJRJNHCDJXMMDP-UHFFFAOYSA-N
XLogP3.25
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

alpha-((2-Pyridinylamino)methyl)benzenemethanol
CID 9470
Phenyramidol Hydrochloride
CID 9469
(2-(7-(4-Methylpyridin-3-yl)isoquinolin-3-ylamino)pyridin-4-yl)methanol
CID 67974818
[2-[[7-(5-Fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-4-pyridinyl]methanol
CID 71115162
2-[[6-(3,3-Difluoropyrrolidin-1-yl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 118725472
2-Amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile
CID 155551596
1,2-Diphenyl-2-(pyridin-2-ylamino)ethanol
CID 273590
[3-[6-(Methylamino)-3-pyridyl]phenyl]methanol
CID 49795255
[2-[6-(Methylamino)-3-pyridinyl]phenyl]methanol
CID 49795829
2-[(4-Methyl-2-pyridinyl)amino]-5-phenylpyridine-3-carbonitrile
CID 164912150
2-[[4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-5-phenylpyridine-3-carbonitrile
CID 164912153
5-Phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carbonitrile
CID 164912154

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile (CID 164912147) is 2-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)ccnc1Nc1cc(CO)ccn1.
What is the InChIKey of 2-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile?
The InChIKey is LJRJNHCDJXMMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c19-11-16-15(14-4-2-1-3-5-14)7-9-21-18(16)22-17-10-13(12-23)6-8-20-17/h1-10,23H,12H2,(H,20,21,22).
What are the key properties of 2-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile?
2-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile has a molecular weight of 302.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 164912147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).