4-(2-methyltetrazol-5-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]benzamide

C19H20N6O3 — CID 91771219

IUPAC4-(2-methyltetrazol-5-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]benzamide
SMILESCn1nnc(-c2ccc(C(=O)N[C@@H]3COCC[C@H]3Oc3ccccn3)cc2)n1
InChIInChI=1S/C19H20N6O3/c1-25-23-18(22-24-25)13-5-7-14(8-6-13)19(26)21-15-12-27-11-9-16(15)28-17-4-2-3-10-20-17/h2-8,10,15-16H,9,11-12H2,1H3,(H,21,26)/t15-,16-/m1/s1
InChIKeyYETXODTWHRETGN-HZPDHXFCSA-N
MW380.41 g/mol
LogP1.24
Rot. Bonds5

About 4-(2-methyltetrazol-5-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]benzamide

4-(2-methyltetrazol-5-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]benzamide (PubChem CID 91771219) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-(2-methyltetrazol-5-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]benzamide.

Molecular Properties

Compound Name4-(2-methyltetrazol-5-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]benzamide
PubChem CID91771219
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name4-(2-methyltetrazol-5-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]benzamide
SMILESCn1nnc(-c2ccc(C(=O)N[C@@H]3COCC[C@H]3Oc3ccccn3)cc2)n1
InChIInChI=1S/C19H20N6O3/c1-25-23-18(22-24-25)13-5-7-14(8-6-13)19(26)21-15-12-27-11-9-16(15)28-17-4-2-3-10-20-17/h2-8,10,15-16H,9,11-12H2,1H3,(H,21,26)/t15-,16-/m1/s1
InChIKeyYETXODTWHRETGN-HZPDHXFCSA-N
XLogP1.24
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide
CID 91773229
N-[2-oxo-2-[(4-pyridin-2-yloxyoxan-3-yl)amino]ethyl]benzamide
CID 156608743
1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea
CID 91777188
5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
CID 91798306
4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide
CID 91786651
N-cyclopropyl-2-[[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]amino]pyridine-4-carboxamide
CID 91761162
3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
CID 91764238
2-methylsulfanyl-N-(4-pyridin-2-yloxyoxan-3-yl)-1,3-thiazole-4-carboxamide
CID 156608294
5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide
CID 91762397
2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide
CID 91791524
1-phenyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]cyclopropane-1-carboxamide
CID 91795536
2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
CID 91766386

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyltetrazol-5-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]benzamide?
The IUPAC name of 4-(2-methyltetrazol-5-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]benzamide (CID 91771219) is 4-(2-methyltetrazol-5-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]benzamide.
What is the SMILES notation for 4-(2-methyltetrazol-5-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]benzamide?
The canonical SMILES for 4-(2-methyltetrazol-5-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]benzamide is Cn1nnc(-c2ccc(C(=O)N[C@@H]3COCC[C@H]3Oc3ccccn3)cc2)n1.
What is the InChIKey of 4-(2-methyltetrazol-5-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]benzamide?
The InChIKey is YETXODTWHRETGN-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-25-23-18(22-24-25)13-5-7-14(8-6-13)19(26)21-15-12-27-11-9-16(15)28-17-4-2-3-10-20-17/h2-8,10,15-16H,9,11-12H2,1H3,(H,21,26)/t15-,16-/m1/s1.
What are the key properties of 4-(2-methyltetrazol-5-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]benzamide?
4-(2-methyltetrazol-5-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]benzamide has a molecular weight of 380.41 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyltetrazol-5-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]benzamide is sourced from PubChem (CID 91771219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).