N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide

C21H22FN9O — CID 72699856

IUPACN-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1nc(C)ccc1-n1nccn1)[C@@H](C)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H22FN9O/c1-4-29(21(32)19-18(10-5-14(2)25-19)31-23-11-12-24-31)15(3)13-30-27-20(26-28-30)16-6-8-17(22)9-7-16/h5-12,15H,4,13H2,1-3H3/t15-/m0/s1
InChIKeyHNNSGEZQVPZHPI-HNNXBMFYSA-N
MW435.47 g/mol
LogP2.31
Rot. Bonds7

About N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide

N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide (PubChem CID 72699856) has the molecular formula C21H22FN9O and a molecular weight of 435.47 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
PubChem CID72699856
Molecular FormulaC21H22FN9O
Molecular Weight435.47 g/mol
Exact Mass435.19
IUPAC NameN-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1nc(C)ccc1-n1nccn1)[C@@H](C)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H22FN9O/c1-4-29(21(32)19-18(10-5-14(2)25-19)31-23-11-12-24-31)15(3)13-30-27-20(26-28-30)16-6-8-17(22)9-7-16/h5-12,15H,4,13H2,1-3H3/t15-/m0/s1
InChIKeyHNNSGEZQVPZHPI-HNNXBMFYSA-N
XLogP2.31
TPSA107.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide (CID 72699856) is N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide is CCN(C(=O)c1nc(C)ccc1-n1nccn1)[C@@H](C)Cn1nnc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide?
The InChIKey is HNNSGEZQVPZHPI-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22FN9O/c1-4-29(21(32)19-18(10-5-14(2)25-19)31-23-11-12-24-31)15(3)13-30-27-20(26-28-30)16-6-8-17(22)9-7-16/h5-12,15H,4,13H2,1-3H3/t15-/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide?
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide has a molecular weight of 435.47 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 72699856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).