2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide

C19H22N4O4 — CID 109168006

IUPAC2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccnc(Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H22N4O4/c24-19(21-5-6-23-7-9-25-10-8-23)14-3-4-20-18(11-14)22-15-1-2-16-17(12-15)27-13-26-16/h1-4,11-12H,5-10,13H2,(H,20,22)(H,21,24)
InChIKeyIVMZZFGTINENNI-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.62
Rot. Bonds6

About 2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide

2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide (PubChem CID 109168006) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
PubChem CID109168006
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccnc(Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H22N4O4/c24-19(21-5-6-23-7-9-25-10-8-23)14-3-4-20-18(11-14)22-15-1-2-16-17(12-15)27-13-26-16/h1-4,11-12H,5-10,13H2,(H,20,22)(H,21,24)
InChIKeyIVMZZFGTINENNI-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167956
6-(1,3-benzodioxol-5-ylamino)-2-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109366542
N-(2-morpholin-4-ylethyl)-2-(2,4,6-trimethylanilino)pyridine-4-carboxamide
CID 109167966
2-(1,3-benzodioxol-5-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide
CID 109173834
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167122
2-(2-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109168019
2-(2,3-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167959
6-N-(1,3-benzodioxol-5-yl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096496
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167907
2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide
CID 109175070
N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113025652
2-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167991

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide (CID 109168006) is 2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide is O=C(NCCN1CCOCC1)c1ccnc(Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
The InChIKey is IVMZZFGTINENNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-19(21-5-6-23-7-9-25-10-8-23)14-3-4-20-18(11-14)22-15-1-2-16-17(12-15)27-13-26-16/h1-4,11-12H,5-10,13H2,(H,20,22)(H,21,24).
What are the key properties of 2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide?
2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109168006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).