4-amino-5-chloro-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile

C16H12ClN3 — CID 100775576

IUPAC4-amino-5-chloro-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile
SMILESN#Cc1cc(N)c(Cl)n1Cc1cccc2ccccc12
InChIInChI=1S/C16H12ClN3/c17-16-15(19)8-13(9-18)20(16)10-12-6-3-5-11-4-1-2-7-14(11)12/h1-8H,10,19H2
InChIKeyPAYXEZOVTCOTSX-UHFFFAOYSA-N
MW281.75 g/mol
LogP3.80
Rot. Bonds2

About 4-amino-5-chloro-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile

4-amino-5-chloro-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile (PubChem CID 100775576) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-amino-5-chloro-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-chloro-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile
PubChem CID100775576
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name4-amino-5-chloro-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile
SMILESN#Cc1cc(N)c(Cl)n1Cc1cccc2ccccc12
InChIInChI=1S/C16H12ClN3/c17-16-15(19)8-13(9-18)20(16)10-12-6-3-5-11-4-1-2-7-14(11)12/h1-8H,10,19H2
InChIKeyPAYXEZOVTCOTSX-UHFFFAOYSA-N
XLogP3.80
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-(3-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile
CID 100774435
4-amino-5-[(3S)-3-methylpiperidin-1-yl]-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile
CID 100770745
4-amino-1-[(2-chlorophenyl)methyl]-5-(4-chlorophenyl)sulfanylpyrrole-2-carbonitrile
CID 100775357
4-amino-5-(diethylamino)-1-[(2-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 100770269
4-amino-1-[(2,4-dichlorophenyl)methyl]-5-phenoxypyrrole-2-carbonitrile
CID 100773363
4-amino-1-benzyl-5-(3-chlorophenoxy)pyrrole-2-carbonitrile
CID 100773935
4-amino-1-[(3-chlorophenyl)methyl]indole-2-carbonitrile
CID 69128972
4-amino-1-[(2-fluorophenyl)methyl]-5-(3-methoxyphenoxy)pyrrole-2-carbonitrile
CID 100774423
4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine
CID 62369100
2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetonitrile
CID 34902193
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
[6-cyano-1-(naphthalen-1-ylmethyl)indol-2-yl]carbamic acid
CID 146459969

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile?
The IUPAC name of 4-amino-5-chloro-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile (CID 100775576) is 4-amino-5-chloro-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-5-chloro-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-5-chloro-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile is N#Cc1cc(N)c(Cl)n1Cc1cccc2ccccc12.
What is the InChIKey of 4-amino-5-chloro-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile?
The InChIKey is PAYXEZOVTCOTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3/c17-16-15(19)8-13(9-18)20(16)10-12-6-3-5-11-4-1-2-7-14(11)12/h1-8H,10,19H2.
What are the key properties of 4-amino-5-chloro-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile?
4-amino-5-chloro-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile has a molecular weight of 281.75 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-1-(naphthalen-1-ylmethyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 100775576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).