5-chloro-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile

C16H11ClN4O — CID 163351320

IUPAC5-chloro-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCc2ccc(-c3ccoc3)nc2)c(Cl)c1
InChIInChI=1S/C16H11ClN4O/c17-14-5-12(6-18)9-21-16(14)20-8-11-1-2-15(19-7-11)13-3-4-22-10-13/h1-5,7,9-10H,8H2,(H,20,21)
InChIKeyCXNSFPMMETWNFY-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.87
Rot. Bonds4

About 5-chloro-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile

5-chloro-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile (PubChem CID 163351320) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is 5-chloro-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
PubChem CID163351320
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC Name5-chloro-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCc2ccc(-c3ccoc3)nc2)c(Cl)c1
InChIInChI=1S/C16H11ClN4O/c17-14-5-12(6-18)9-21-16(14)20-8-11-1-2-15(19-7-11)13-3-4-22-10-13/h1-5,7,9-10H,8H2,(H,20,21)
InChIKeyCXNSFPMMETWNFY-UHFFFAOYSA-N
XLogP3.87
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-cyano-2-furanyl)ethyl)-
CID 3001139
6-Amino-4-(furan-2-yl)-2,3'-bipyridine-5-carbonitrile
CID 663015
2-Amino-4-(2-furanyl)-6-(2-pyridinyl)-3-pyridinecarbonitrile
CID 665693
(1R)-N'-[5-chloro-2-(5-chloro-2-pyridinyl)-6-methylpyrimidin-4-yl]-N-[4-(furan-2-yl)butyl]-1-phenylethane-1,2-diamine
CID 71602649
6-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3234344
4-Cyclopropyl-5-[2-(furan-3-yl)-4-pyridinyl]pyrimidin-2-amine
CID 118709191
4-(Furan-3-yl)-5-pyridin-4-ylpyrimidin-2-amine
CID 118709194
N-[(3-chlorophenyl)methyl]-3-(furan-3-yl)pyrazin-2-amine
CID 172434598
3-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrazin-2-amine
CID 172434729
3-(furan-3-yl)-N-(2-pyridin-2-ylethyl)pyrazin-2-amine
CID 172437212
2-Amino-6-(4-chlorophenyl)-4-(furan-2-yl)pyridine-3-carbonitrile
CID 937735
(1S)-1-(furan-3-yl)-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentan-1-amine
CID 100705133

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile (CID 163351320) is 5-chloro-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile is N#Cc1cnc(NCc2ccc(-c3ccoc3)nc2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is CXNSFPMMETWNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c17-14-5-12(6-18)9-21-16(14)20-8-11-1-2-15(19-7-11)13-3-4-22-10-13/h1-5,7,9-10H,8H2,(H,20,21).
What are the key properties of 5-chloro-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
5-chloro-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 310.74 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[6-(furan-3-yl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 163351320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).