1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide

C19H21N3O2 — CID 109050711

IUPAC1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C19H21N3O2/c1-22(12-9-14-7-10-20-11-8-14)19(24)16-4-2-3-15(13-16)18(23)21-17-5-6-17/h2-4,7-8,10-11,13,17H,5-6,9,12H2,1H3,(H,21,23)
InChIKeyBKFSPSOWBQCWTD-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.29
Rot. Bonds6

About 1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide

1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide (PubChem CID 109050711) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
PubChem CID109050711
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C19H21N3O2/c1-22(12-9-14-7-10-20-11-8-14)19(24)16-4-2-3-15(13-16)18(23)21-17-5-6-17/h2-4,7-8,10-11,13,17H,5-6,9,12H2,1H3,(H,21,23)
InChIKeyBKFSPSOWBQCWTD-UHFFFAOYSA-N
XLogP2.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055260
2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098676
1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055552
4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229655
3-cyclopropyl-1-methyl-1-(2-pyridin-4-ylethyl)thiourea
CID 116507582
3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055548
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109050681
3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide
CID 119390450
N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237072
5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101177
3-[methyl(2-phenylethyl)carbamoyl]benzoic acid
CID 65487165
cis-(1R,3S)-3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678069

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide (CID 109050711) is 1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide is CN(CCc1ccncc1)C(=O)c1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide?
The InChIKey is BKFSPSOWBQCWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-22(12-9-14-7-10-20-11-8-14)19(24)16-4-2-3-15(13-16)18(23)21-17-5-6-17/h2-4,7-8,10-11,13,17H,5-6,9,12H2,1H3,(H,21,23).
What are the key properties of 1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide?
1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109050711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).