N-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide

C22H19N3O4 — CID 7044137

IUPACN-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
SMILESO=C(N[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1)c1ccccn1
InChIInChI=1S/C22H19N3O4/c26-21(17-8-4-5-11-23-17)25-20(15-6-2-1-3-7-15)22(27)24-16-9-10-18-19(14-16)29-13-12-28-18/h1-11,14,20H,12-13H2,(H,24,27)(H,25,26)/t20-/m1/s1
InChIKeyAWGQLKMIAULMQW-HXUWFJFHSA-N
MW389.41 g/mol
LogP2.96
Rot. Bonds5

About N-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide

N-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide (PubChem CID 7044137) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
PubChem CID7044137
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
SMILESO=C(N[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1)c1ccccn1
InChIInChI=1S/C22H19N3O4/c26-21(17-8-4-5-11-23-17)25-20(15-6-2-1-3-7-15)22(27)24-16-9-10-18-19(14-16)29-13-12-28-18/h1-11,14,20H,12-13H2,(H,24,27)(H,25,26)/t20-/m1/s1
InChIKeyAWGQLKMIAULMQW-HXUWFJFHSA-N
XLogP2.96
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide
CID 7044138
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(pyridine-2-carbonylamino)phenyl]oxamide
CID 3220639
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide
CID 18158025
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-2-phenylacetamide
CID 1076352
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]pyridine-2-carboxamide
CID 89411121
N-[(1S)-2-amino-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 94572874
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 695351
N-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110426267
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide
CID 51866041
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-2-carboxamide
CID 44507518
(2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide
CID 93239229

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide (CID 7044137) is N-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide is O=C(N[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1)c1ccccn1.
What is the InChIKey of N-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide?
The InChIKey is AWGQLKMIAULMQW-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H19N3O4/c26-21(17-8-4-5-11-23-17)25-20(15-6-2-1-3-7-15)22(27)24-16-9-10-18-19(14-16)29-13-12-28-18/h1-11,14,20H,12-13H2,(H,24,27)(H,25,26)/t20-/m1/s1.
What are the key properties of N-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide?
N-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 7044137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).