C121H159N33O20 — CID 159904602
N-cyclopropyl-2-(2-methylpropanoylamino)pyridine-4-carboxamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-methylpropanamide;N-[4-(hydrazinecarbonyl)-2-pyridinyl]-2-methylpropanamide;N-(2-hydroxyethyl)-2-(2-methylpropanoylamino)pyridine-4-carboxamide;2-methyl-N-[4-(1-methylpyrazol-3-yl)-2-pyridinyl]propanamide;2-(2-methylpropanoylamino)-N-(oxolan-3-yl)pyridine-4-carboxamide;2-(2-methylpropanoylamino)-N-propan-2-ylpyridine-4-carboxamide;2-(2-methylpropanoylamino)pyridine-4-carboxamide;2-(2-methylpropanoylamino)pyridine-4-carboxylic acid;2-methyl-N-[4-(1H-pyrazol-5-yl)-2-pyridinyl]propanamide (PubChem CID 159904602) has the molecular formula C121H159N33O20 and a molecular weight of 2395.81 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-methylpropanoylamino)pyridine-4-carboxamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-methylpropanamide;N-[4-(hydrazinecarbonyl)-2-pyridinyl]-2-methylpropanamide;N-(2-hydroxyethyl)-2-(2-methylpropanoylamino)pyridine-4-carboxamide;2-methyl-N-[4-(1-methylpyrazol-3-yl)-2-pyridinyl]propanamide;2-(2-methylpropanoylamino)-N-(oxolan-3-yl)pyridine-4-carboxamide;2-(2-methylpropanoylamino)-N-propan-2-ylpyridine-4-carboxamide;2-(2-methylpropanoylamino)pyridine-4-carboxamide;2-(2-methylpropanoylamino)pyridine-4-carboxylic acid;2-methyl-N-[4-(1H-pyrazol-5-yl)-2-pyridinyl]propanamide.
| Compound Name | N-cyclopropyl-2-(2-methylpropanoylamino)pyridine-4-carboxamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-methylpropanamide;N-[4-(hydrazinecarbonyl)-2-pyridinyl]-2-methylpropanamide;N-(2-hydroxyethyl)-2-(2-methylpropanoylamino)pyridine-4-carboxamide;2-methyl-N-[4-(1-methylpyrazol-3-yl)-2-pyridinyl]propanamide;2-(2-methylpropanoylamino)-N-(oxolan-3-yl)pyridine-4-carboxamide;2-(2-methylpropanoylamino)-N-propan-2-ylpyridine-4-carboxamide;2-(2-methylpropanoylamino)pyridine-4-carboxamide;2-(2-methylpropanoylamino)pyridine-4-carboxylic acid;2-methyl-N-[4-(1H-pyrazol-5-yl)-2-pyridinyl]propanamide |
|---|---|
| PubChem CID | 159904602 |
| Molecular Formula | C121H159N33O20 |
| Molecular Weight | 2395.81 g/mol |
| Exact Mass | 2394.24 |
| IUPAC Name | N-cyclopropyl-2-(2-methylpropanoylamino)pyridine-4-carboxamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-methylpropanamide;N-[4-(hydrazinecarbonyl)-2-pyridinyl]-2-methylpropanamide;N-(2-hydroxyethyl)-2-(2-methylpropanoylamino)pyridine-4-carboxamide;2-methyl-N-[4-(1-methylpyrazol-3-yl)-2-pyridinyl]propanamide;2-(2-methylpropanoylamino)-N-(oxolan-3-yl)pyridine-4-carboxamide;2-(2-methylpropanoylamino)-N-propan-2-ylpyridine-4-carboxamide;2-(2-methylpropanoylamino)pyridine-4-carboxamide;2-(2-methylpropanoylamino)pyridine-4-carboxylic acid;2-methyl-N-[4-(1H-pyrazol-5-yl)-2-pyridinyl]propanamide |
| SMILES | CC(C)C(=O)Nc1cc(-c2ccn(C)n2)ccn1.CC(C)C(=O)Nc1cc(-c2ccn[nH]2)ccn1.CC(C)C(=O)Nc1cc(C(=O)NC2CC2)ccn1.CC(C)C(=O)Nc1cc(C(=O)NC2CCOC2)ccn1.CC(C)C(=O)Nc1cc(C(=O)NCCO)ccn1.CC(C)C(=O)Nc1cc(C(=O)NN)ccn1.CC(C)C(=O)Nc1cc(C(=O)O)ccn1.CC(C)C(=O)Nc1cc(C(N)=O)ccn1.CC(C)NC(=O)c1ccnc(NC(=O)C(C)C)c1.Cc1nn(C)cc1-c1ccnc(NC(=O)C(C)C)c1 |
| InChI | InChI=1S/C14H18N4O.C14H19N3O3.C13H16N4O.C13H17N3O2.C13H19N3O2.C12H14N4O.C12H17N3O3.C10H14N4O2.C10H13N3O2.C10H12N2O3/c1-9(2)14(19)16-13-7-11(5-6-15-13)12-8-18(4)17-10(12)3;1-9(2)13(18)17-12-7-10(3-5-15-12)14(19)16-11-4-6-20-8-11;1-9(2)13(18)15-12-8-10(4-6-14-12)11-5-7-17(3)16-11;1-8(2)12(17)16-11-7-9(5-6-14-11)13(18)15-10-3-4-10;1-8(2)12(17)16-11-7-10(5-6-14-11)13(18)15-9(3)4;1-8(2)12(17)15-11-7-9(3-5-13-11)10-4-6-14-16-10;1-8(2)11(17)15-10-7-9(3-4-13-10)12(18)14-5-6-16;1-6(2)9(15)13-8-5-7(3-4-12-8)10(16)14-11;1-6(2)10(15)13-8-5-7(9(11)14)3-4-12-8;1-6(2)9(13)12-8-5-7(10(14)15)3-4-11-8/h5-9H,1-4H3,(H,15,16,19);3,5,7,9,11H,4,6,8H2,1-2H3,(H,16,19)(H,15,17,18);4-9H,1-3H3,(H,14,15,18);5-8,10H,3-4H2,1-2H3,(H,15,18)(H,14,16,17);5-9H,1-4H3,(H,15,18)(H,14,16,17);3-8H,1-2H3,(H,14,16)(H,13,15,17);3-4,7-8,16H,5-6H2,1-2H3,(H,14,18)(H,13,15,17);3-6H,11H2,1-2H3,(H,14,16)(H,12,13,15);3-6H,1-2H3,(H2,11,14)(H,12,13,15);3-6H,1-2H3,(H,14,15)(H,11,12,13) |
| InChIKey | NWKFSXTULDDNRZ-UHFFFAOYSA-N |
| XLogP | 13.93 |
| TPSA | 765.59 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 174 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2395.81 |
| LogP ≤ 5 | 13.93 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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