2,2-dimethyl-N-[[6-methyl-5-[[2-(2H-triazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

C19H21N7O3 — CID 90403199

IUPAC2,2-dimethyl-N-[[6-methyl-5-[[2-(2H-triazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCc1nc(NC(=O)NC(=O)C(C)(C)C)ccc1Oc1ccnc(-c2cn[nH]n2)c1
InChIInChI=1S/C19H21N7O3/c1-11-15(29-12-7-8-20-13(9-12)14-10-21-26-25-14)5-6-16(22-11)23-18(28)24-17(27)19(2,3)4/h5-10H,1-4H3,(H,21,25,26)(H2,22,23,24,27,28)
InChIKeyNDJZLUADNRFQLF-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.06
Rot. Bonds4

About 2,2-dimethyl-N-[[6-methyl-5-[[2-(2H-triazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

2,2-dimethyl-N-[[6-methyl-5-[[2-(2H-triazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (PubChem CID 90403199) has the molecular formula C19H21N7O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[6-methyl-5-[[2-(2H-triazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[6-methyl-5-[[2-(2H-triazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
PubChem CID90403199
Molecular FormulaC19H21N7O3
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC Name2,2-dimethyl-N-[[6-methyl-5-[[2-(2H-triazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCc1nc(NC(=O)NC(=O)C(C)(C)C)ccc1Oc1ccnc(-c2cn[nH]n2)c1
InChIInChI=1S/C19H21N7O3/c1-11-15(29-12-7-8-20-13(9-12)14-10-21-26-25-14)5-6-16(22-11)23-18(28)24-17(27)19(2,3)4/h5-10H,1-4H3,(H,21,25,26)(H2,22,23,24,27,28)
InChIKeyNDJZLUADNRFQLF-UHFFFAOYSA-N
XLogP3.06
TPSA134.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[6-methyl-5-[[2-(2H-triazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[6-methyl-5-[[2-(2H-triazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (CID 90403199) is 2,2-dimethyl-N-[[6-methyl-5-[[2-(2H-triazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[6-methyl-5-[[2-(2H-triazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[6-methyl-5-[[2-(2H-triazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is Cc1nc(NC(=O)NC(=O)C(C)(C)C)ccc1Oc1ccnc(-c2cn[nH]n2)c1.
What is the InChIKey of 2,2-dimethyl-N-[[6-methyl-5-[[2-(2H-triazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The InChIKey is NDJZLUADNRFQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3/c1-11-15(29-12-7-8-20-13(9-12)14-10-21-26-25-14)5-6-16(22-11)23-18(28)24-17(27)19(2,3)4/h5-10H,1-4H3,(H,21,25,26)(H2,22,23,24,27,28).
What are the key properties of 2,2-dimethyl-N-[[6-methyl-5-[[2-(2H-triazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
2,2-dimethyl-N-[[6-methyl-5-[[2-(2H-triazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide has a molecular weight of 395.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[6-methyl-5-[[2-(2H-triazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is sourced from PubChem (CID 90403199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).