N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide

C21H18N4O3 — CID 109356572

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc(N2CCc3ccccc32)ncn1
InChIInChI=1S/C21H18N4O3/c26-21(24-15-5-6-18-19(11-15)28-10-9-27-18)16-12-20(23-13-22-16)25-8-7-14-3-1-2-4-17(14)25/h1-6,11-13H,7-10H2,(H,24,26)
InChIKeyMYZYQWGINMJOOM-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.19
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (PubChem CID 109356572) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
PubChem CID109356572
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc(N2CCc3ccccc32)ncn1
InChIInChI=1S/C21H18N4O3/c26-21(24-15-5-6-18-19(11-15)28-10-9-27-18)16-12-20(23-13-22-16)25-8-7-14-3-1-2-4-17(14)25/h1-6,11-13H,7-10H2,(H,24,26)
InChIKeyMYZYQWGINMJOOM-UHFFFAOYSA-N
XLogP3.19
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179343
6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109356545
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109219720
N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109219632
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356271
N-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109356579
6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109356552
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335430
N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109197942
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338800
6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348179
N-(1,3-benzodioxol-5-yl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109352549

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (CID 109356572) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cc(N2CCc3ccccc32)ncn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The InChIKey is MYZYQWGINMJOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-21(24-15-5-6-18-19(11-15)28-10-9-27-18)16-12-20(23-13-22-16)25-8-7-14-3-1-2-4-17(14)25/h1-6,11-13H,7-10H2,(H,24,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).