6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-3-methoxypyridine-2-carboxamide

C18H21N3O4 — CID 155350485

IUPAC6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-3-methoxypyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc3c(c2)OCO3)nc1C(=O)NC(C)(C)C
InChIInChI=1S/C18H21N3O4/c1-18(2,3)21-17(22)16-13(23-4)7-8-15(20-16)19-11-5-6-12-14(9-11)25-10-24-12/h5-9H,10H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyGRKCLBBMSRSXIV-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.09
Rot. Bonds4

About 6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-3-methoxypyridine-2-carboxamide

6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-3-methoxypyridine-2-carboxamide (PubChem CID 155350485) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-3-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-3-methoxypyridine-2-carboxamide
PubChem CID155350485
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-3-methoxypyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc3c(c2)OCO3)nc1C(=O)NC(C)(C)C
InChIInChI=1S/C18H21N3O4/c1-18(2,3)21-17(22)16-13(23-4)7-8-15(20-16)19-11-5-6-12-14(9-11)25-10-24-12/h5-9H,10H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyGRKCLBBMSRSXIV-UHFFFAOYSA-N
XLogP3.09
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide
CID 155350561
6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-2-phenylpyrimidine-4-carboxamide
CID 112854344
6-(1,3-benzodioxol-5-ylamino)-N-(5-chloro-2-methoxyphenyl)pyridazine-3-carboxamide
CID 109129115
6-N-(1,3-benzodioxol-5-yl)-4-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878661
N-[4-(1,3-benzodioxol-5-ylamino)phenyl]-3,4-dimethoxybenzamide
CID 112989157
5-(1,3-benzodioxol-5-ylamino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293894
4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chloro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904323
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113050244
methyl 2-[[4-(1,3-benzodioxol-5-ylamino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112931596
N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129169
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide
CID 113036150
4-N-(1,3-benzodioxol-5-yl)-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112905311

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-3-methoxypyridine-2-carboxamide?
The IUPAC name of 6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-3-methoxypyridine-2-carboxamide (CID 155350485) is 6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-3-methoxypyridine-2-carboxamide.
What is the SMILES notation for 6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-3-methoxypyridine-2-carboxamide?
The canonical SMILES for 6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-3-methoxypyridine-2-carboxamide is COc1ccc(Nc2ccc3c(c2)OCO3)nc1C(=O)NC(C)(C)C.
What is the InChIKey of 6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-3-methoxypyridine-2-carboxamide?
The InChIKey is GRKCLBBMSRSXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-18(2,3)21-17(22)16-13(23-4)7-8-15(20-16)19-11-5-6-12-14(9-11)25-10-24-12/h5-9H,10H2,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-3-methoxypyridine-2-carboxamide?
6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-3-methoxypyridine-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-3-methoxypyridine-2-carboxamide is sourced from PubChem (CID 155350485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).