2-amino-4-(3-cyclopentyloxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile

C20H22N4O — CID 56889712

IUPAC2-amino-4-(3-cyclopentyloxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1cccc(OC3CCCC3)c1)CNCC2
InChIInChI=1S/C20H22N4O/c21-11-16-19(17-12-23-9-8-18(17)24-20(16)22)13-4-3-7-15(10-13)25-14-5-1-2-6-14/h3-4,7,10,14,23H,1-2,5-6,8-9,12H2,(H2,22,24)
InChIKeyZHNCDRHHQIIIIO-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.17
Rot. Bonds3

About 2-amino-4-(3-cyclopentyloxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile

2-amino-4-(3-cyclopentyloxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (PubChem CID 56889712) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-amino-4-(3-cyclopentyloxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-cyclopentyloxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
PubChem CID56889712
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-amino-4-(3-cyclopentyloxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1cccc(OC3CCCC3)c1)CNCC2
InChIInChI=1S/C20H22N4O/c21-11-16-19(17-12-23-9-8-18(17)24-20(16)22)13-4-3-7-15(10-13)25-14-5-1-2-6-14/h3-4,7,10,14,23H,1-2,5-6,8-9,12H2,(H2,22,24)
InChIKeyZHNCDRHHQIIIIO-UHFFFAOYSA-N
XLogP3.17
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-cyclopentyloxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-cyclopentyloxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (CID 56889712) is 2-amino-4-(3-cyclopentyloxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-cyclopentyloxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-cyclopentyloxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1cccc(OC3CCCC3)c1)CNCC2.
What is the InChIKey of 2-amino-4-(3-cyclopentyloxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The InChIKey is ZHNCDRHHQIIIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-11-16-19(17-12-23-9-8-18(17)24-20(16)22)13-4-3-7-15(10-13)25-14-5-1-2-6-14/h3-4,7,10,14,23H,1-2,5-6,8-9,12H2,(H2,22,24).
What are the key properties of 2-amino-4-(3-cyclopentyloxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
2-amino-4-(3-cyclopentyloxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile has a molecular weight of 334.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-cyclopentyloxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56889712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).