6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one

C21H25N5O2 — CID 44180013

IUPAC6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESC1COCCN1C2=CC=C(C=C2)NC3=C4C(=CC(=N3)CCCN)C=CNC4=O
InChIInChI=1S/C21H25N5O2/c22-8-1-2-17-14-15-7-9-23-21(27)19(15)20(25-17)24-16-3-5-18(6-4-16)26-10-12-28-13-11-26/h3-7,9,14H,1-2,8,10-13,22H2,(H,23,27)(H,24,25)
InChIKeyMKILIVUEQNFIIU-UHFFFAOYSA-N
MW379.50 g/mol
LogP1.60
Rot. Bonds6

About 6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one

6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 44180013) has the molecular formula C21H25N5O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID44180013
Molecular FormulaC21H25N5O2
Molecular Weight379.50 g/mol
Exact Mass379.20
IUPAC Name6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESC1COCCN1C2=CC=C(C=C2)NC3=C4C(=CC(=N3)CCCN)C=CNC4=O
InChIInChI=1S/C21H25N5O2/c22-8-1-2-17-14-15-7-9-23-21(27)19(15)20(25-17)24-16-3-5-18(6-4-16)26-10-12-28-13-11-26/h3-7,9,14H,1-2,8,10-13,22H2,(H,23,27)(H,24,25)
InChIKeyMKILIVUEQNFIIU-UHFFFAOYSA-N
XLogP1.60
TPSA92.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity543

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
2-({4-Hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
CID 135406328
8-(4-morpholin-4-ylanilino)-6-phenyl-2H-2,7-naphthyridin-1-one
CID 44193817
6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094043
2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 145981275
2-Butylamino-6-phenyl-4-trifluoromethyl-nicotinamide
CID 1904911
N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10000408
2-(2-Morpholin-4-yl-ethylamino)-5H-benzo[c][1,5]naphthyridin-6-one
CID 10871043
N-(cyanomethyl)-3-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide
CID 25062765
N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-2-propyl-pyridine-3-carboxylic acid amide
CID 67286956
2-cyclopropyl-N-[[(1S,2R)-2-hydroxy-cyclohexyl]-methyl]-4-methyl-6-morpholin-4-yl-pyridine-3-carboxylic acid amide
CID 70816915
6-((R)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118038598

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (CID 44180013) is 6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is C1COCCN1C2=CC=C(C=C2)NC3=C4C(=CC(=N3)CCCN)C=CNC4=O.
What is the InChIKey of 6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is MKILIVUEQNFIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c22-8-1-2-17-14-15-7-9-23-21(27)19(15)20(25-17)24-16-3-5-18(6-4-16)26-10-12-28-13-11-26/h3-7,9,14H,1-2,8,10-13,22H2,(H,23,27)(H,24,25).
What are the key properties of 6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 379.50 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 44180013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).