7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C26H29N5O — CID 657663

IUPAC7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(NCCCO)nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C26H29N5O/c27-16-23-22-12-14-31(18-21-10-5-2-6-11-21)19-24(22)26(30-25(23)28-13-7-15-32)29-17-20-8-3-1-4-9-20/h1-6,8-11,32H,7,12-15,17-19H2,(H2,28,29,30)
InChIKeyOGVFWKJUFOQUTG-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.92
Rot. Bonds9

About 7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 657663) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID657663
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(NCCCO)nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C26H29N5O/c27-16-23-22-12-14-31(18-21-10-5-2-6-11-21)19-24(22)26(30-25(23)28-13-7-15-32)29-17-20-8-3-1-4-9-20/h1-6,8-11,32H,7,12-15,17-19H2,(H2,28,29,30)
InChIKeyOGVFWKJUFOQUTG-UHFFFAOYSA-N
XLogP3.92
TPSA84.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(Benzylamino)-1-(diethylamino)-7-ethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
CID 630595
3-(benzylamino)-7-methyl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 564006
3-(2-aminoethylamino)-7-benzyl-1-(benzylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 657445
3-((3-Hydroxypropyl)amino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 658238
7-ethyl-1-[(phenylmethyl)amino]-3-(1-piperidinyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 658540
1-(benzylamino)-7-methyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 658604
2-Amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]-4-phenylpyridine-3,5-dicarbonitrile
CID 70684889
2-Amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridine-3,5-dicarbonitrile
CID 70687043
2-Amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]pyridine-3,5-dicarbonitrile
CID 70689140
2-Amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]-4-phenylpyridine-3,5-dicarbonitrile
CID 70693341
2-Amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]-4-phenylpyridine-3,5-dicarbonitrile
CID 70695442
2-Amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]pyridine-3,5-dicarbonitrile
CID 70695443

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 657663) is 7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is N#Cc1c(NCCCO)nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is OGVFWKJUFOQUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c27-16-23-22-12-14-31(18-21-10-5-2-6-11-21)19-24(22)26(30-25(23)28-13-7-15-32)29-17-20-8-3-1-4-9-20/h1-6,8-11,32H,7,12-15,17-19H2,(H2,28,29,30).
What are the key properties of 7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 427.55 g/mol, XLogP of 3.92, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 657663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).