N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide

C19H16N8O2 — CID 131910795

IUPACN-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCOc1cc(-n2cnnn2)ccc1NC(=O)c1cnc(-c2cccnc2)nc1C
InChIInChI=1S/C19H16N8O2/c1-12-15(10-21-18(23-12)13-4-3-7-20-9-13)19(28)24-16-6-5-14(8-17(16)29-2)27-11-22-25-26-27/h3-11H,1-2H3,(H,24,28)
InChIKeyWAOOULXLMFFKJO-UHFFFAOYSA-N
MW388.39 g/mol
LogP2.08
Rot. Bonds5

About N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide

N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 131910795) has the molecular formula C19H16N8O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID131910795
Molecular FormulaC19H16N8O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC NameN-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCOc1cc(-n2cnnn2)ccc1NC(=O)c1cnc(-c2cccnc2)nc1C
InChIInChI=1S/C19H16N8O2/c1-12-15(10-21-18(23-12)13-4-3-7-20-9-13)19(28)24-16-6-5-14(8-17(16)29-2)27-11-22-25-26-27/h3-11H,1-2H3,(H,24,28)
InChIKeyWAOOULXLMFFKJO-UHFFFAOYSA-N
XLogP2.08
TPSA120.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131931402
N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 131944143
N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide
CID 131949493
2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide
CID 131935094
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131892436
N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26209349
N-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
CID 53080300
4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 74244228
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 18081318
N-(2-methoxyphenyl)-4-methyl-2-(1-pyridin-3-ylpyrrolidin-3-yl)pyrimidine-5-carboxamide
CID 110253210

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 131910795) is N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide is COc1cc(-n2cnnn2)ccc1NC(=O)c1cnc(-c2cccnc2)nc1C.
What is the InChIKey of N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is WAOOULXLMFFKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O2/c1-12-15(10-21-18(23-12)13-4-3-7-20-9-13)19(28)24-16-6-5-14(8-17(16)29-2)27-11-22-25-26-27/h3-11H,1-2H3,(H,24,28).
What are the key properties of N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 131910795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).