8-(2-pentoxyanilino)-6-(pyridin-3-ylamino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

C25H27N5O2 — CID 174626666

IUPAC8-(2-pentoxyanilino)-6-(pyridin-3-ylamino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCCCCCOc1ccccc1Nc1nc(Nc2cccnc2)cc2c1C(C=O)NC=C2
InChIInChI=1S/C25H27N5O2/c1-2-3-6-14-32-22-10-5-4-9-20(22)29-25-24-18(11-13-27-21(24)17-31)15-23(30-25)28-19-8-7-12-26-16-19/h4-5,7-13,15-17,21,27H,2-3,6,14H2,1H3,(H2,28,29,30)
InChIKeyLJCUGKYGYZUGRM-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.35
Rot. Bonds10

About 8-(2-pentoxyanilino)-6-(pyridin-3-ylamino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

8-(2-pentoxyanilino)-6-(pyridin-3-ylamino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 174626666) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 8-(2-pentoxyanilino)-6-(pyridin-3-ylamino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

Compound Name8-(2-pentoxyanilino)-6-(pyridin-3-ylamino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
PubChem CID174626666
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name8-(2-pentoxyanilino)-6-(pyridin-3-ylamino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCCCCCOc1ccccc1Nc1nc(Nc2cccnc2)cc2c1C(C=O)NC=C2
InChIInChI=1S/C25H27N5O2/c1-2-3-6-14-32-22-10-5-4-9-20(22)29-25-24-18(11-13-27-21(24)17-31)15-23(30-25)28-19-8-7-12-26-16-19/h4-5,7-13,15-17,21,27H,2-3,6,14H2,1H3,(H2,28,29,30)
InChIKeyLJCUGKYGYZUGRM-UHFFFAOYSA-N
XLogP5.35
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-ethoxyphenyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
CID 22528049
6-(6-methoxypyrazin-2-yl)-8-[4-(2-methyl-4-pyridinyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626567
3-octadecoxypyridine
CID 175800212
6-anilino-8-[2-(3-methylbutoxy)anilino]-2H-2,7-naphthyridin-1-one
CID 66888266
(2-pentoxyphenyl) formate
CID 173195289
2-anilino-N-(3-hexoxyphenyl)benzamide
CID 54784866
N-[(2-pentoxynaphthalen-1-yl)methyl]-1-pyridin-3-ylmethanamine
CID 54849210
2-(pentanoylamino)-N-pyridin-3-ylbenzamide
CID 30336770
4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066466
3-decoxy-2-nitropyridine
CID 152620226
(pyridin-3-ylamino) decanoate
CID 150161934
5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one
CID 7541113

Frequently Asked Questions

What is the IUPAC name of 8-(2-pentoxyanilino)-6-(pyridin-3-ylamino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The IUPAC name of 8-(2-pentoxyanilino)-6-(pyridin-3-ylamino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 174626666) is 8-(2-pentoxyanilino)-6-(pyridin-3-ylamino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.
What is the SMILES notation for 8-(2-pentoxyanilino)-6-(pyridin-3-ylamino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The canonical SMILES for 8-(2-pentoxyanilino)-6-(pyridin-3-ylamino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is CCCCCOc1ccccc1Nc1nc(Nc2cccnc2)cc2c1C(C=O)NC=C2.
What is the InChIKey of 8-(2-pentoxyanilino)-6-(pyridin-3-ylamino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The InChIKey is LJCUGKYGYZUGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-2-3-6-14-32-22-10-5-4-9-20(22)29-25-24-18(11-13-27-21(24)17-31)15-23(30-25)28-19-8-7-12-26-16-19/h4-5,7-13,15-17,21,27H,2-3,6,14H2,1H3,(H2,28,29,30).
What are the key properties of 8-(2-pentoxyanilino)-6-(pyridin-3-ylamino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
8-(2-pentoxyanilino)-6-(pyridin-3-ylamino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 429.52 g/mol, XLogP of 5.35, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-pentoxyanilino)-6-(pyridin-3-ylamino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 174626666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).