7-[(E)-7-pyrimidin-5-ylhept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C19H24N4 — CID 142134028

IUPAC7-[(E)-7-pyrimidin-5-ylhept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESC(=C/c1cncnc1)\CCCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C19H24N4/c1(2-4-7-16-13-20-15-21-14-16)3-5-9-18-11-10-17-8-6-12-22-19(17)23-18/h4,7,10-11,13-15H,1-3,5-6,8-9,12H2,(H,22,23)/b7-4+
InChIKeyYEWFHDXPHFHNDD-QPJJXVBHSA-N
MW308.43 g/mol
LogP4.05
Rot. Bonds7

About 7-[(E)-7-pyrimidin-5-ylhept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

7-[(E)-7-pyrimidin-5-ylhept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 142134028) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 7-[(E)-7-pyrimidin-5-ylhept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-[(E)-7-pyrimidin-5-ylhept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID142134028
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name7-[(E)-7-pyrimidin-5-ylhept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESC(=C/c1cncnc1)\CCCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C19H24N4/c1(2-4-7-16-13-20-15-21-14-16)3-5-9-18-11-10-17-8-6-12-22-19(17)23-18/h4,7,10-11,13-15H,1-3,5-6,8-9,12H2,(H,22,23)/b7-4+
InChIKeyYEWFHDXPHFHNDD-QPJJXVBHSA-N
XLogP4.05
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate;pyrimidine
CID 142277672
N-ethyl-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-amine
CID 154031401
(E,3R)-1-(2-propan-2-ylpyrimidin-5-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol
CID 11485411
7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane
CID 177029160
7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]hept-1-en-3-ol
CID 123531103
7-(5-chloropent-1-enyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 141108587
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 139473822
7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride
CID 146423102
ethyl (E,3R)-3-(2-propan-2-ylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate
CID 11224366
7-ethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen
CID 176962671

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-7-pyrimidin-5-ylhept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-[(E)-7-pyrimidin-5-ylhept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 142134028) is 7-[(E)-7-pyrimidin-5-ylhept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-[(E)-7-pyrimidin-5-ylhept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-[(E)-7-pyrimidin-5-ylhept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is C(=C/c1cncnc1)\CCCCCc1ccc2c(n1)NCCC2.
What is the InChIKey of 7-[(E)-7-pyrimidin-5-ylhept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is YEWFHDXPHFHNDD-QPJJXVBHSA-N. The full InChI is InChI=1S/C19H24N4/c1(2-4-7-16-13-20-15-21-14-16)3-5-9-18-11-10-17-8-6-12-22-19(17)23-18/h4,7,10-11,13-15H,1-3,5-6,8-9,12H2,(H,22,23)/b7-4+.
What are the key properties of 7-[(E)-7-pyrimidin-5-ylhept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-[(E)-7-pyrimidin-5-ylhept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 308.43 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-7-pyrimidin-5-ylhept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 142134028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).