N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-pyridin-4-ylacetamide

C23H28FN7O3 — CID 3387078

IUPACN-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-pyridin-4-ylacetamide
SMILESCC(C)(C)NC(=O)C(c1ccncc1)N(CCCO)C(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H28FN7O3/c1-23(2,3)26-22(34)20(16-9-11-25-12-10-16)30(13-4-14-32)19(33)15-31-28-21(27-29-31)17-5-7-18(24)8-6-17/h5-12,20,32H,4,13-15H2,1-3H3,(H,26,34)
InChIKeyQBIJCHWAYGCJJQ-UHFFFAOYSA-N
MW469.52 g/mol
LogP1.74
Rot. Bonds9

About N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-pyridin-4-ylacetamide

N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-pyridin-4-ylacetamide (PubChem CID 3387078) has the molecular formula C23H28FN7O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-pyridin-4-ylacetamide
PubChem CID3387078
Molecular FormulaC23H28FN7O3
Molecular Weight469.52 g/mol
Exact Mass469.22
IUPAC NameN-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-pyridin-4-ylacetamide
SMILESCC(C)(C)NC(=O)C(c1ccncc1)N(CCCO)C(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H28FN7O3/c1-23(2,3)26-22(34)20(16-9-11-25-12-10-16)30(13-4-14-32)19(33)15-31-28-21(27-29-31)17-5-7-18(24)8-6-17/h5-12,20,32H,4,13-15H2,1-3H3,(H,26,34)
InChIKeyQBIJCHWAYGCJJQ-UHFFFAOYSA-N
XLogP1.74
TPSA126.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-pyridin-4-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-N-tert-butyl-2-[(4-fluorophenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide
CID 40601398
(2S)-N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-2-pyridin-4-ylacetamide
CID 40581296
N-tert-butyl-2-[3-ethoxypropyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide
CID 3178953
(2R)-N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methylanilino)-2-pyridin-4-ylacetamide
CID 40614848
(2R)-N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-pyridin-4-ylacetamide
CID 40614240
(2S)-N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methoxyanilino)-2-pyridin-4-ylacetamide
CID 40581315
(2S)-N-tert-butyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide
CID 40601624
2-[benzyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-(4-hydroxyphenyl)acetamide
CID 3178960
N-tert-butyl-2-[3-(diethylamino)propyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide
CID 3174586
(2S)-N-cyclopentyl-2-(4-fluorophenyl)-2-[3-hydroxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide
CID 40665250
N-tert-butyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-fluorophenyl)acetamide
CID 3178935
ethyl 2-[[(1R)-2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetate
CID 40624197

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-pyridin-4-ylacetamide?
The IUPAC name of N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-pyridin-4-ylacetamide (CID 3387078) is N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-pyridin-4-ylacetamide is CC(C)(C)NC(=O)C(c1ccncc1)N(CCCO)C(=O)Cn1nnc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-pyridin-4-ylacetamide?
The InChIKey is QBIJCHWAYGCJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN7O3/c1-23(2,3)26-22(34)20(16-9-11-25-12-10-16)30(13-4-14-32)19(33)15-31-28-21(27-29-31)17-5-7-18(24)8-6-17/h5-12,20,32H,4,13-15H2,1-3H3,(H,26,34).
What are the key properties of N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-pyridin-4-ylacetamide?
N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-pyridin-4-ylacetamide has a molecular weight of 469.52 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(3-hydroxypropyl)amino]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3387078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).