N-[cyclopropyl(pyridin-3-yl)methyl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide

C19H21N3O2 — CID 146137683

IUPACN-[cyclopropyl(pyridin-3-yl)methyl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide
SMILESCOc1cccc2c1CN(C(=O)NC(c1cccnc1)C1CC1)C2
InChIInChI=1S/C19H21N3O2/c1-24-17-6-2-4-15-11-22(12-16(15)17)19(23)21-18(13-7-8-13)14-5-3-9-20-10-14/h2-6,9-10,13,18H,7-8,11-12H2,1H3,(H,21,23)
InChIKeyNGYGSNXRRFOHKZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.27
Rot. Bonds4

About N-[cyclopropyl(pyridin-3-yl)methyl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide

N-[cyclopropyl(pyridin-3-yl)methyl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide (PubChem CID 146137683) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[cyclopropyl(pyridin-3-yl)methyl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(pyridin-3-yl)methyl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide
PubChem CID146137683
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[cyclopropyl(pyridin-3-yl)methyl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide
SMILESCOc1cccc2c1CN(C(=O)NC(c1cccnc1)C1CC1)C2
InChIInChI=1S/C19H21N3O2/c1-24-17-6-2-4-15-11-22(12-16(15)17)19(23)21-18(13-7-8-13)14-5-3-9-20-10-14/h2-6,9-10,13,18H,7-8,11-12H2,1H3,(H,21,23)
InChIKeyNGYGSNXRRFOHKZ-UHFFFAOYSA-N
XLogP3.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[cyclopropyl(pyridin-3-yl)methyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122008111
3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629820
2-[[(S)-cyclopropyl(pyridin-3-yl)methyl]amino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 97352749
2-[[cyclopropyl(pyridin-3-yl)methyl]amino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 75455968
N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 100701151
N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide
CID 132971702
(3,3-dimethylazetidin-2-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone
CID 138031514
N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 99841570
[cyclopropyl(pyridin-3-yl)methyl]hydrazine
CID 89323342
N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide
CID 136564730
4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide
CID 86802695
1,1,1,3,3,3-hexafluoropropan-2-yl 4-methoxy-1,3-dihydroisoindole-2-carboxylate
CID 138619078

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(pyridin-3-yl)methyl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[cyclopropyl(pyridin-3-yl)methyl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide (CID 146137683) is N-[cyclopropyl(pyridin-3-yl)methyl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[cyclopropyl(pyridin-3-yl)methyl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[cyclopropyl(pyridin-3-yl)methyl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide is COc1cccc2c1CN(C(=O)NC(c1cccnc1)C1CC1)C2.
What is the InChIKey of N-[cyclopropyl(pyridin-3-yl)methyl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is NGYGSNXRRFOHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-24-17-6-2-4-15-11-22(12-16(15)17)19(23)21-18(13-7-8-13)14-5-3-9-20-10-14/h2-6,9-10,13,18H,7-8,11-12H2,1H3,(H,21,23).
What are the key properties of N-[cyclopropyl(pyridin-3-yl)methyl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide?
N-[cyclopropyl(pyridin-3-yl)methyl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(pyridin-3-yl)methyl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 146137683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).