1-(benzylamino)-7-ethyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C23H29N5 — CID 658540

IUPAC1-(benzylamino)-7-ethyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN1CCc2c(C#N)c(N3CCCCC3)nc(NCc3ccccc3)c2C1
InChIInChI=1S/C23H29N5/c1-2-27-14-11-19-20(15-24)23(28-12-7-4-8-13-28)26-22(21(19)17-27)25-16-18-9-5-3-6-10-18/h3,5-6,9-10H,2,4,7-8,11-14,16-17H2,1H3,(H,25,26)
InChIKeyOFVQTBJOUGGQOD-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.93
Rot. Bonds5

About 1-(benzylamino)-7-ethyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

1-(benzylamino)-7-ethyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 658540) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-(benzylamino)-7-ethyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(benzylamino)-7-ethyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID658540
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name1-(benzylamino)-7-ethyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN1CCc2c(C#N)c(N3CCCCC3)nc(NCc3ccccc3)c2C1
InChIInChI=1S/C23H29N5/c1-2-27-14-11-19-20(15-24)23(28-12-7-4-8-13-28)26-22(21(19)17-27)25-16-18-9-5-3-6-10-18/h3,5-6,9-10H,2,4,7-8,11-14,16-17H2,1H3,(H,25,26)
InChIKeyOFVQTBJOUGGQOD-UHFFFAOYSA-N
XLogP3.93
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-7-ethyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 1-(benzylamino)-7-ethyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 658540) is 1-(benzylamino)-7-ethyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 1-(benzylamino)-7-ethyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 1-(benzylamino)-7-ethyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is CCN1CCc2c(C#N)c(N3CCCCC3)nc(NCc3ccccc3)c2C1.
What is the InChIKey of 1-(benzylamino)-7-ethyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is OFVQTBJOUGGQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-2-27-14-11-19-20(15-24)23(28-12-7-4-8-13-28)26-22(21(19)17-27)25-16-18-9-5-3-6-10-18/h3,5-6,9-10H,2,4,7-8,11-14,16-17H2,1H3,(H,25,26).
What are the key properties of 1-(benzylamino)-7-ethyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
1-(benzylamino)-7-ethyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 375.52 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-7-ethyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 658540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).