N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]acenaphthylene-1-carboxamide

C25H26N4O2 — CID 91346773

IUPACN-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]acenaphthylene-1-carboxamide
SMILESO=C(Nc1ccc(NCCCN2CCOCC2)nc1)C1=Cc2cccc3cccc1c23
InChIInChI=1S/C25H26N4O2/c30-25(22-16-19-6-1-4-18-5-2-7-21(22)24(18)19)28-20-8-9-23(27-17-20)26-10-3-11-29-12-14-31-15-13-29/h1-2,4-9,16-17H,3,10-15H2,(H,26,27)(H,28,30)
InChIKeySADHCSUEMWGXGY-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.86
Rot. Bonds7

About N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]acenaphthylene-1-carboxamide

N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]acenaphthylene-1-carboxamide (PubChem CID 91346773) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]acenaphthylene-1-carboxamide.

Molecular Properties

Compound NameN-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]acenaphthylene-1-carboxamide
PubChem CID91346773
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]acenaphthylene-1-carboxamide
SMILESO=C(Nc1ccc(NCCCN2CCOCC2)nc1)C1=Cc2cccc3cccc1c23
InChIInChI=1S/C25H26N4O2/c30-25(22-16-19-6-1-4-18-5-2-7-21(22)24(18)19)28-20-8-9-23(27-17-20)26-10-3-11-29-12-14-31-15-13-29/h1-2,4-9,16-17H,3,10-15H2,(H,26,27)(H,28,30)
InChIKeySADHCSUEMWGXGY-UHFFFAOYSA-N
XLogP3.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39178028
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]acenaphthylene-1-carboxamide
CID 143323712
methyl N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]carbamate
CID 113010883
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113010875
N-(3-morpholin-4-ylpropyl)-5-phenylpyridin-2-amine
CID 141285664
N-(4-acetamidophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154071
2-(2-methylphenyl)-N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]acetamide
CID 113010878
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113010856
6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide
CID 43348273
N-(2,6-difluorophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154096
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide
CID 113010893
6-(2-morpholin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109154066

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]acenaphthylene-1-carboxamide?
The IUPAC name of N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]acenaphthylene-1-carboxamide (CID 91346773) is N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]acenaphthylene-1-carboxamide.
What is the SMILES notation for N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]acenaphthylene-1-carboxamide?
The canonical SMILES for N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]acenaphthylene-1-carboxamide is O=C(Nc1ccc(NCCCN2CCOCC2)nc1)C1=Cc2cccc3cccc1c23.
What is the InChIKey of N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]acenaphthylene-1-carboxamide?
The InChIKey is SADHCSUEMWGXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-25(22-16-19-6-1-4-18-5-2-7-21(22)24(18)19)28-20-8-9-23(27-17-20)26-10-3-11-29-12-14-31-15-13-29/h1-2,4-9,16-17H,3,10-15H2,(H,26,27)(H,28,30).
What are the key properties of N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]acenaphthylene-1-carboxamide?
N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]acenaphthylene-1-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-morpholin-4-ylpropylamino)-3-pyridinyl]acenaphthylene-1-carboxamide is sourced from PubChem (CID 91346773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).