6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide

C18H19N3O3 — CID 17445461

IUPAC6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)c1ccc(C(=O)NC2CC2)cn1
InChIInChI=1S/C18H19N3O3/c1-21(10-12-2-6-15-16(8-12)24-11-23-15)17-7-3-13(9-19-17)18(22)20-14-4-5-14/h2-3,6-9,14H,4-5,10-11H2,1H3,(H,20,22)
InChIKeyYBGCVJCHSNMPSN-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.34
Rot. Bonds5

About 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide

6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide (PubChem CID 17445461) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide
PubChem CID17445461
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)c1ccc(C(=O)NC2CC2)cn1
InChIInChI=1S/C18H19N3O3/c1-21(10-12-2-6-15-16(8-12)24-11-23-15)17-7-3-13(9-19-17)18(22)20-14-4-5-14/h2-3,6-9,14H,4-5,10-11H2,1H3,(H,20,22)
InChIKeyYBGCVJCHSNMPSN-UHFFFAOYSA-N
XLogP2.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 591105
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-3-pyridinecarboxamide
CID 2161595
2-(1,3-benzodioxol-5-ylmethylamino)-N-[[3-(difluoromethyl)-4-methylphenyl]methyl]-5-(3-hydroxy-3-methylbut-1-ynyl)pyridine-3-carboxamide
CID 122182190
N-(3-(4-(piperonyl)piperazin-1-yl)propyl) isonicotinamide
CID 127027739
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 127041966
N-(4-methylpyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 1116221
N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 3413292
N-(3-pyridinylmethyl)-1,3-benzodioxole-5-carboxamide
CID 654053
3-(1,3-benzodioxol-5-yl)-N-(5-methyl-2-pyridinyl)acrylamide
CID 844451
2-(benzo[d][1,3]dioxol-5-ylmethylamino)-N-(4-phenoxyphenyl)nicotinamide
CID 10138086
3-cyclopentyloxy-4-methoxy-N-pyridin-2-yl-benzamide
CID 10380805
(S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)benzo[d][1,3]dioxole-5-carboxamide
CID 46886477

Frequently Asked Questions

What is the IUPAC name of 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide (CID 17445461) is 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide is CN(Cc1ccc2c(c1)OCO2)c1ccc(C(=O)NC2CC2)cn1.
What is the InChIKey of 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is YBGCVJCHSNMPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-21(10-12-2-6-15-16(8-12)24-11-23-15)17-7-3-13(9-19-17)18(22)20-14-4-5-14/h2-3,6-9,14H,4-5,10-11H2,1H3,(H,20,22).
What are the key properties of 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide?
6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 17445461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).