N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-pyridin-3-ylpyrimidine-5-carboxamide

C19H16N6O2 — CID 74233605

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N(C)Cc1ccc2nonc2c1
InChIInChI=1S/C19H16N6O2/c1-12-15(10-21-18(22-12)14-4-3-7-20-9-14)19(26)25(2)11-13-5-6-16-17(8-13)24-27-23-16/h3-10H,11H2,1-2H3
InChIKeyHTMJKEOIYLUVOX-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.66
Rot. Bonds4

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-pyridin-3-ylpyrimidine-5-carboxamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 74233605) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID74233605
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N(C)Cc1ccc2nonc2c1
InChIInChI=1S/C19H16N6O2/c1-12-15(10-21-18(22-12)14-4-3-7-20-9-14)19(26)25(2)11-13-5-6-16-17(8-13)24-27-23-16/h3-10H,11H2,1-2H3
InChIKeyHTMJKEOIYLUVOX-UHFFFAOYSA-N
XLogP2.66
TPSA97.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-cyclopropyl-N,4-dimethylpyrimidine-5-carboxamide
CID 50960897
N,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 72873937
N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 118764274
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 91762097
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97207809
N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide
CID 70763824
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 45228915
5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 54916915
2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide
CID 74247903
N-(2,1,3-benzoxadiazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide
CID 56902329
N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 42670152
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 56714057

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 74233605) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-pyridin-3-ylpyrimidine-5-carboxamide is Cc1nc(-c2cccnc2)ncc1C(=O)N(C)Cc1ccc2nonc2c1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is HTMJKEOIYLUVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-12-15(10-21-18(22-12)14-4-3-7-20-9-14)19(26)25(2)11-13-5-6-16-17(8-13)24-27-23-16/h3-10H,11H2,1-2H3.
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 74233605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).