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

C19H19N5 — CID 56908852

IUPAC2-amino-4-(1,5-dimethylindol-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
SMILESCc1ccc2c(c1)cc(-c1c(C#N)c(N)nc3c1CNCC3)n2C
InChIInChI=1S/C19H19N5/c1-11-3-4-16-12(7-11)8-17(24(16)2)18-13(9-20)19(21)23-15-5-6-22-10-14(15)18/h3-4,7-8,22H,5-6,10H2,1-2H3,(H2,21,23)
InChIKeyDKACQRCMFOTZCM-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.65
Rot. Bonds1

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

2-amino-4-(1,5-dimethylindol-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (PubChem CID 56908852) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-amino-4-(1,5-dimethylindol-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(1,5-dimethylindol-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
PubChem CID56908852
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name2-amino-4-(1,5-dimethylindol-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
SMILESCc1ccc2c(c1)cc(-c1c(C#N)c(N)nc3c1CNCC3)n2C
InChIInChI=1S/C19H19N5/c1-11-3-4-16-12(7-11)8-17(24(16)2)18-13(9-20)19(21)23-15-5-6-22-10-14(15)18/h3-4,7-8,22H,5-6,10H2,1-2H3,(H2,21,23)
InChIKeyDKACQRCMFOTZCM-UHFFFAOYSA-N
XLogP2.65
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,5-dimethylindol-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(1,5-dimethylindol-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (CID 56908852) is 2-amino-4-(1,5-dimethylindol-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(1,5-dimethylindol-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(1,5-dimethylindol-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is Cc1ccc2c(c1)cc(-c1c(C#N)c(N)nc3c1CNCC3)n2C.
What is the InChIKey of 2-amino-4-(1,5-dimethylindol-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The InChIKey is DKACQRCMFOTZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-11-3-4-16-12(7-11)8-17(24(16)2)18-13(9-20)19(21)23-15-5-6-22-10-14(15)18/h3-4,7-8,22H,5-6,10H2,1-2H3,(H2,21,23).
What are the key properties of 2-amino-4-(1,5-dimethylindol-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
2-amino-4-(1,5-dimethylindol-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile has a molecular weight of 317.40 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,5-dimethylindol-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56908852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).