7-methyl-3-morpholin-4-yl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C17H23N5O — CID 658718

IUPAC7-methyl-3-morpholin-4-yl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESC=CCNc1nc(N2CCOCC2)c(C#N)c2c1CN(C)CC2
InChIInChI=1S/C17H23N5O/c1-3-5-19-16-15-12-21(2)6-4-13(15)14(11-18)17(20-16)22-7-9-23-10-8-22/h3H,1,4-10,12H2,2H3,(H,19,20)
InChIKeyFBBFGAKNXBWOEG-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.38
Rot. Bonds4

About 7-methyl-3-morpholin-4-yl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

7-methyl-3-morpholin-4-yl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 658718) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 7-methyl-3-morpholin-4-yl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name7-methyl-3-morpholin-4-yl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID658718
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name7-methyl-3-morpholin-4-yl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESC=CCNc1nc(N2CCOCC2)c(C#N)c2c1CN(C)CC2
InChIInChI=1S/C17H23N5O/c1-3-5-19-16-15-12-21(2)6-4-13(15)14(11-18)17(20-16)22-7-9-23-10-8-22/h3H,1,4-10,12H2,2H3,(H,19,20)
InChIKeyFBBFGAKNXBWOEG-UHFFFAOYSA-N
XLogP1.38
TPSA64.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-morpholin-4-yl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 7-methyl-3-morpholin-4-yl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 658718) is 7-methyl-3-morpholin-4-yl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 7-methyl-3-morpholin-4-yl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 7-methyl-3-morpholin-4-yl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is C=CCNc1nc(N2CCOCC2)c(C#N)c2c1CN(C)CC2.
What is the InChIKey of 7-methyl-3-morpholin-4-yl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is FBBFGAKNXBWOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-3-5-19-16-15-12-21(2)6-4-13(15)14(11-18)17(20-16)22-7-9-23-10-8-22/h3H,1,4-10,12H2,2H3,(H,19,20).
What are the key properties of 7-methyl-3-morpholin-4-yl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
7-methyl-3-morpholin-4-yl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 313.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-morpholin-4-yl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 658718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).