N-methyl-4-morpholin-4-ylaniline;N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]formamide

C22H31N5O2 — CID 143997787

IUPACN-methyl-4-morpholin-4-ylaniline;N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]formamide
SMILESCNc1ccc(N2CCOCC2)cc1.O=CNCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C11H15N3O.C11H16N2O/c15-8-12-7-5-10-4-3-9-2-1-6-13-11(9)14-10;1-12-10-2-4-11(5-3-10)13-6-8-14-9-7-13/h3-4,8H,1-2,5-7H2,(H,12,15)(H,13,14);2-5,12H,6-9H2,1H3
InChIKeyGRZFUQHAIRILNS-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.29
Rot. Bonds6

About N-methyl-4-morpholin-4-ylaniline;N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]formamide

N-methyl-4-morpholin-4-ylaniline;N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]formamide (PubChem CID 143997787) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-methyl-4-morpholin-4-ylaniline;N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]formamide.

Molecular Properties

Compound NameN-methyl-4-morpholin-4-ylaniline;N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]formamide
PubChem CID143997787
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC NameN-methyl-4-morpholin-4-ylaniline;N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]formamide
SMILESCNc1ccc(N2CCOCC2)cc1.O=CNCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C11H15N3O.C11H16N2O/c15-8-12-7-5-10-4-3-9-2-1-6-13-11(9)14-10;1-12-10-2-4-11(5-3-10)13-6-8-14-9-7-13/h3-4,8H,1-2,5-7H2,(H,12,15)(H,13,14);2-5,12H,6-9H2,1H3
InChIKeyGRZFUQHAIRILNS-UHFFFAOYSA-N
XLogP2.29
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-morpholin-4-ylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 46207633
N-ethyl-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-amine
CID 154031401
tert-butyl N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate
CID 54085210
(2R)-4-[(3R)-3-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]-2-methyl-3-(3-morpholin-4-ylphenyl)butanoic acid
CID 140877958
3-(2-fluoro-5-morpholin-4-ylphenyl)-4-[3-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]butanoic acid
CID 118981870
1-(2,6-difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 71590230
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213
1-ethyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-2-one
CID 20641785
(3R)-4-[(3S)-3-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]-3-(3-morpholin-4-ylphenyl)butanoic acid
CID 121242231
methyl (3R)-3-(3-bromo-5-morpholin-4-ylphenyl)-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]butanoate
CID 118978119
3-(3-morpholin-4-ylphenyl)-3-[6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]spiro[3.3]heptan-2-yl]propanoic acid
CID 134500179
7-ethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen
CID 176962671

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-morpholin-4-ylaniline;N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]formamide?
The IUPAC name of N-methyl-4-morpholin-4-ylaniline;N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]formamide (CID 143997787) is N-methyl-4-morpholin-4-ylaniline;N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]formamide.
What is the SMILES notation for N-methyl-4-morpholin-4-ylaniline;N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]formamide?
The canonical SMILES for N-methyl-4-morpholin-4-ylaniline;N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]formamide is CNc1ccc(N2CCOCC2)cc1.O=CNCCc1ccc2c(n1)NCCC2.
What is the InChIKey of N-methyl-4-morpholin-4-ylaniline;N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]formamide?
The InChIKey is GRZFUQHAIRILNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.C11H16N2O/c15-8-12-7-5-10-4-3-9-2-1-6-13-11(9)14-10;1-12-10-2-4-11(5-3-10)13-6-8-14-9-7-13/h3-4,8H,1-2,5-7H2,(H,12,15)(H,13,14);2-5,12H,6-9H2,1H3.
What are the key properties of N-methyl-4-morpholin-4-ylaniline;N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]formamide?
N-methyl-4-morpholin-4-ylaniline;N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]formamide has a molecular weight of 397.52 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-morpholin-4-ylaniline;N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]formamide is sourced from PubChem (CID 143997787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).