N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C14H15F3N6O — CID 124744204

IUPACN-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](C)c1nnnn1C1CC1
InChIInChI=1S/C14H15F3N6O/c1-7-10(5-6-11(18-7)14(15,16)17)13(24)19-8(2)12-20-21-22-23(12)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,19,24)/t8-/m0/s1
InChIKeyZVJSXXLAUQZDHR-QMMMGPOBSA-N
MW340.31 g/mol
LogP2.22
Rot. Bonds4

About N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 124744204) has the molecular formula C14H15F3N6O and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID124744204
Molecular FormulaC14H15F3N6O
Molecular Weight340.31 g/mol
Exact Mass340.13
IUPAC NameN-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](C)c1nnnn1C1CC1
InChIInChI=1S/C14H15F3N6O/c1-7-10(5-6-11(18-7)14(15,16)17)13(24)19-8(2)12-20-21-22-23(12)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,19,24)/t8-/m0/s1
InChIKeyZVJSXXLAUQZDHR-QMMMGPOBSA-N
XLogP2.22
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 124744204) is N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](C)c1nnnn1C1CC1.
What is the InChIKey of N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZVJSXXLAUQZDHR-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H15F3N6O/c1-7-10(5-6-11(18-7)14(15,16)17)13(24)19-8(2)12-20-21-22-23(12)9-3-4-9/h5-6,8-9H,3-4H2,1-2H3,(H,19,24)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 124744204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).