N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide

C19H22N4O4 — CID 113025652

IUPACN-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(NCCN2CCOCC2)cn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N4O4/c24-19(14-1-3-16-17(11-14)27-13-26-16)22-18-4-2-15(12-21-18)20-5-6-23-7-9-25-10-8-23/h1-4,11-12,20H,5-10,13H2,(H,21,22,24)
InChIKeyHHYCIYGCEVSYPW-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.81
Rot. Bonds6

About N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide

N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 113025652) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
PubChem CID113025652
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(NCCN2CCOCC2)cn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N4O4/c24-19(14-1-3-16-17(11-14)27-13-26-16)22-18-4-2-15(12-21-18)20-5-6-23-7-9-25-10-8-23/h1-4,11-12,20H,5-10,13H2,(H,21,22,24)
InChIKeyHHYCIYGCEVSYPW-UHFFFAOYSA-N
XLogP1.81
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277712
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113010875
N-[5-(3-phenylpropylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113029836
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113028205
N-(1,3-benzodioxol-5-yl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115624
N-(4-acetamidophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154071
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032271
N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032826
2-(4-methylphenyl)-N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]acetamide
CID 113025663
2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109168006
N-(2,6-difluorophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154096
2-(3-methylphenyl)-N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]acetamide
CID 113025662

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide (CID 113025652) is N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(NCCN2CCOCC2)cn1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is HHYCIYGCEVSYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-19(14-1-3-16-17(11-14)27-13-26-16)22-18-4-2-15(12-21-18)20-5-6-23-7-9-25-10-8-23/h1-4,11-12,20H,5-10,13H2,(H,21,22,24).
What are the key properties of N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide?
N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 113025652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).