2-amino-4-(5-cyclohexyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile

C18H22N6 — CID 56900902

IUPAC2-amino-4-(5-cyclohexyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1cn[nH]c1C1CCCCC1)CNCC2
InChIInChI=1S/C18H22N6/c19-8-12-16(13-9-21-7-6-15(13)23-18(12)20)14-10-22-24-17(14)11-4-2-1-3-5-11/h10-11,21H,1-7,9H2,(H2,20,23)(H,22,24)
InChIKeyZBDCDBDLZDNVDF-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.62
Rot. Bonds2

About 2-amino-4-(5-cyclohexyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile

2-amino-4-(5-cyclohexyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (PubChem CID 56900902) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-amino-4-(5-cyclohexyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-cyclohexyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
PubChem CID56900902
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name2-amino-4-(5-cyclohexyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1cn[nH]c1C1CCCCC1)CNCC2
InChIInChI=1S/C18H22N6/c19-8-12-16(13-9-21-7-6-15(13)23-18(12)20)14-10-22-24-17(14)11-4-2-1-3-5-11/h10-11,21H,1-7,9H2,(H2,20,23)(H,22,24)
InChIKeyZBDCDBDLZDNVDF-UHFFFAOYSA-N
XLogP2.62
TPSA103.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-cyclohexyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-cyclohexyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (CID 56900902) is 2-amino-4-(5-cyclohexyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-cyclohexyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-cyclohexyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1cn[nH]c1C1CCCCC1)CNCC2.
What is the InChIKey of 2-amino-4-(5-cyclohexyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The InChIKey is ZBDCDBDLZDNVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c19-8-12-16(13-9-21-7-6-15(13)23-18(12)20)14-10-22-24-17(14)11-4-2-1-3-5-11/h10-11,21H,1-7,9H2,(H2,20,23)(H,22,24).
What are the key properties of 2-amino-4-(5-cyclohexyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
2-amino-4-(5-cyclohexyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile has a molecular weight of 322.42 g/mol, XLogP of 2.62, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-cyclohexyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56900902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).