4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile

C12H11N3O — CID 63881885

IUPAC4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNCc2ccco2)ccn1
InChIInChI=1S/C12H11N3O/c13-7-11-6-10(3-4-15-11)8-14-9-12-2-1-5-16-12/h1-6,14H,8-9H2
InChIKeyYMOUMFQDMQJARX-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.84
Rot. Bonds4

About 4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile

4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile (PubChem CID 63881885) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile
PubChem CID63881885
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNCc2ccco2)ccn1
InChIInChI=1S/C12H11N3O/c13-7-11-6-10(3-4-15-11)8-14-9-12-2-1-5-16-12/h1-6,14H,8-9H2
InChIKeyYMOUMFQDMQJARX-UHFFFAOYSA-N
XLogP1.84
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-ylmethylamino)pyridine-2-carbonitrile
CID 62924814
4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63883271
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63882717
4-[[(3-ethoxyphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63881515
4-[[(3-ethyl-2-pyridinyl)methylamino]methyl]pyridine-2-carbonitrile
CID 82738010
4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 63886159
4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile
CID 63881524
N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 60957165
4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile
CID 103829289
(2-cyano-4-pyridinyl)methylcarbamic acid
CID 126744334
4-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63880762
4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile
CID 65469773

Frequently Asked Questions

What is the IUPAC name of 4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile (CID 63881885) is 4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile is N#Cc1cc(CNCc2ccco2)ccn1.
What is the InChIKey of 4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile?
The InChIKey is YMOUMFQDMQJARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-7-11-6-10(3-4-15-11)8-14-9-12-2-1-5-16-12/h1-6,14H,8-9H2.
What are the key properties of 4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile?
4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63881885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).