N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide

C20H16ClN3O3 — CID 109220965

IUPACN-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(Nc2ccc3c(c2)OCCO3)ccn1
InChIInChI=1S/C20H16ClN3O3/c21-13-2-1-3-14(10-13)24-20(25)17-11-16(6-7-22-17)23-15-4-5-18-19(12-15)27-9-8-26-18/h1-7,10-12H,8-9H2,(H,22,23)(H,24,25)
InChIKeyORNPRXHYAHBUPM-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.50
Rot. Bonds4

About N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide

N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide (PubChem CID 109220965) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
PubChem CID109220965
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC NameN-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(Nc2ccc3c(c2)OCCO3)ccn1
InChIInChI=1S/C20H16ClN3O3/c21-13-2-1-3-14(10-13)24-20(25)17-11-16(6-7-22-17)23-15-4-5-18-19(12-15)27-9-8-26-18/h1-7,10-12H,8-9H2,(H,22,23)(H,24,25)
InChIKeyORNPRXHYAHBUPM-UHFFFAOYSA-N
XLogP4.50
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dimethylanilino)pyridine-2-carboxamide
CID 109219918
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109219984
4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092846
N-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide
CID 109219186
N-(3-chloro-2-methylphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109221115
4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109212459
2-(1,3-benzodioxol-5-ylamino)-N-(3-chlorophenyl)pyridine-4-carboxamide
CID 109177450
N-(1,3-benzodioxol-5-yl)-4-(2,6-difluoroanilino)pyridine-2-carboxamide
CID 109222503
2-(4-chloroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109316960
4-(3-chloroanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109220984
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202435
4-(1,3-benzodioxol-5-ylamino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219950

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide (CID 109220965) is N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide is O=C(Nc1cccc(Cl)c1)c1cc(Nc2ccc3c(c2)OCCO3)ccn1.
What is the InChIKey of N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide?
The InChIKey is ORNPRXHYAHBUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c21-13-2-1-3-14(10-13)24-20(25)17-11-16(6-7-22-17)23-15-4-5-18-19(12-15)27-9-8-26-18/h1-7,10-12H,8-9H2,(H,22,23)(H,24,25).
What are the key properties of N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide?
N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109220965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).